bis(N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide);N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-4-(3,5-difluorophenyl)-2-[(2-methylcyclopropyl)methyl]butanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide

C88H139F8N5O6 — CID 158369363

IUPACbis(N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide);N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-4-(3,5-difluorophenyl)-2-[(2-methylcyclopropyl)methyl]butanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide
SMILESCC(C)(C)CC(CCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CC(C)(C)NC(=O)C(CCc1cc(F)cc(F)c1)C(C)(C)C.CC(C)(C)NC(=O)C(CCc1cc(F)cc(F)c1)C(C)(C)C.CC1CC1CC(CCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CCCOC(CC(C)(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C19H27F2NO.C19H29F2NO.2C18H27F2NO.C14H29NO2/c1-12-7-15(12)10-14(18(23)22-19(2,3)4)6-5-13-8-16(20)11-17(21)9-13;1-18(2,3)12-14(17(23)22-19(4,5)6)8-7-13-9-15(20)11-16(21)10-13;2*1-17(2,3)15(16(22)21-18(4,5)6)8-7-12-9-13(19)11-14(20)10-12;1-8-9-17-11(10-13(2,3)4)12(16)15-14(5,6)7/h8-9,11-12,14-15H,5-7,10H2,1-4H3,(H,22,23);9-11,14H,7-8,12H2,1-6H3,(H,22,23);2*9-11,15H,7-8H2,1-6H3,(H,21,22);11H,8-10H2,1-7H3,(H,15,16)
InChIKeyGUKRTGZVEPUWRO-UHFFFAOYSA-N
MW1515.09 g/mol
LogP21.42
Rot. Bonds24

About bis(N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide);N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-4-(3,5-difluorophenyl)-2-[(2-methylcyclopropyl)methyl]butanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide

bis(N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide);N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-4-(3,5-difluorophenyl)-2-[(2-methylcyclopropyl)methyl]butanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide (PubChem CID 158369363) has the molecular formula C88H139F8N5O6 and a molecular weight of 1515.09 g/mol. Its IUPAC name is bis(N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide);N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-4-(3,5-difluorophenyl)-2-[(2-methylcyclopropyl)methyl]butanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide.

Molecular Properties

Compound Namebis(N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide);N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-4-(3,5-difluorophenyl)-2-[(2-methylcyclopropyl)methyl]butanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide
PubChem CID158369363
Molecular FormulaC88H139F8N5O6
Molecular Weight1515.09 g/mol
Exact Mass1514.06
IUPAC Namebis(N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide);N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-4-(3,5-difluorophenyl)-2-[(2-methylcyclopropyl)methyl]butanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide
SMILESCC(C)(C)CC(CCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CC(C)(C)NC(=O)C(CCc1cc(F)cc(F)c1)C(C)(C)C.CC(C)(C)NC(=O)C(CCc1cc(F)cc(F)c1)C(C)(C)C.CC1CC1CC(CCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CCCOC(CC(C)(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C19H27F2NO.C19H29F2NO.2C18H27F2NO.C14H29NO2/c1-12-7-15(12)10-14(18(23)22-19(2,3)4)6-5-13-8-16(20)11-17(21)9-13;1-18(2,3)12-14(17(23)22-19(4,5)6)8-7-13-9-15(20)11-16(21)10-13;2*1-17(2,3)15(16(22)21-18(4,5)6)8-7-12-9-13(19)11-14(20)10-12;1-8-9-17-11(10-13(2,3)4)12(16)15-14(5,6)7/h8-9,11-12,14-15H,5-7,10H2,1-4H3,(H,22,23);9-11,14H,7-8,12H2,1-6H3,(H,22,23);2*9-11,15H,7-8H2,1-6H3,(H,21,22);11H,8-10H2,1-7H3,(H,15,16)
InChIKeyGUKRTGZVEPUWRO-UHFFFAOYSA-N
XLogP21.42
TPSA154.73 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001515.09
LogP ≤ 521.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze bis(N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide);N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-4-(3,5-difluorophenyl)-2-[(2-methylcyclopropyl)methyl]butanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide with MolForge

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Related Compounds

N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide
CID 20790184
2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-(2-methylbutan-2-yl)pentanamide
CID 71091886
N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide;N-tert-butyl-2-propan-2-ylpentanamide;N,2-ditert-butylpentanamide
CID 161398995
2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-propan-2-ylpentanamide
CID 59164349
2-[2-(3,5-difluorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 70921104
N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpent-4-enamide
CID 158568071
N-tert-butyl-3-cyclopentyl-2-propoxypropanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide;N-tert-butyl-4-methyl-2-propoxypent-4-enamide
CID 159265248
N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide
CID 20790193
2-[(3,5-difluorophenyl)methoxy]-4,4-dimethyl-N-propan-2-ylpentanamide
CID 21366270
N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide
CID 20790190
N-tert-butyl-2-(cyclopentylmethoxy)-4,4-dimethylpentanamide
CID 20790215
N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-2-propan-2-ylhex-5-enamide;N,2-ditert-butylhex-5-enamide
CID 160798735

Frequently Asked Questions

What is the IUPAC name of bis(N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide);N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-4-(3,5-difluorophenyl)-2-[(2-methylcyclopropyl)methyl]butanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide?
The IUPAC name of bis(N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide);N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-4-(3,5-difluorophenyl)-2-[(2-methylcyclopropyl)methyl]butanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide (CID 158369363) is bis(N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide);N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-4-(3,5-difluorophenyl)-2-[(2-methylcyclopropyl)methyl]butanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide.
What is the SMILES notation for bis(N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide);N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-4-(3,5-difluorophenyl)-2-[(2-methylcyclopropyl)methyl]butanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide?
The canonical SMILES for bis(N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide);N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-4-(3,5-difluorophenyl)-2-[(2-methylcyclopropyl)methyl]butanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide is CC(C)(C)CC(CCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CC(C)(C)NC(=O)C(CCc1cc(F)cc(F)c1)C(C)(C)C.CC(C)(C)NC(=O)C(CCc1cc(F)cc(F)c1)C(C)(C)C.CC1CC1CC(CCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CCCOC(CC(C)(C)C)C(=O)NC(C)(C)C.
What is the InChIKey of bis(N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide);N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-4-(3,5-difluorophenyl)-2-[(2-methylcyclopropyl)methyl]butanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide?
The InChIKey is GUKRTGZVEPUWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2NO.C19H29F2NO.2C18H27F2NO.C14H29NO2/c1-12-7-15(12)10-14(18(23)22-19(2,3)4)6-5-13-8-16(20)11-17(21)9-13;1-18(2,3)12-14(17(23)22-19(4,5)6)8-7-13-9-15(20)11-16(21)10-13;2*1-17(2,3)15(16(22)21-18(4,5)6)8-7-12-9-13(19)11-14(20)10-12;1-8-9-17-11(10-13(2,3)4)12(16)15-14(5,6)7/h8-9,11-12,14-15H,5-7,10H2,1-4H3,(H,22,23);9-11,14H,7-8,12H2,1-6H3,(H,22,23);2*9-11,15H,7-8H2,1-6H3,(H,21,22);11H,8-10H2,1-7H3,(H,15,16).
What are the key properties of bis(N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide);N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-4-(3,5-difluorophenyl)-2-[(2-methylcyclopropyl)methyl]butanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide?
bis(N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide);N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-4-(3,5-difluorophenyl)-2-[(2-methylcyclopropyl)methyl]butanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide has a molecular weight of 1515.09 g/mol, XLogP of 21.42, 24 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide);N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-4-(3,5-difluorophenyl)-2-[(2-methylcyclopropyl)methyl]butanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide is sourced from PubChem (CID 158369363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).