N-[4-[4-[4-(3-amino-2,3-dimethylbutoxy)-3,3,4-trimethylpentoxy]-2,3,3,4-tetramethylpentoxy]-4-methylpentan-2-yl]-3,3,4-trifluoro-2,2,4-trimethylpentanamide

C37H73F3N2O4 — CID 129140644

IUPACN-[4-[4-[4-(3-amino-2,3-dimethylbutoxy)-3,3,4-trimethylpentoxy]-2,3,3,4-tetramethylpentoxy]-4-methylpentan-2-yl]-3,3,4-trifluoro-2,2,4-trimethylpentanamide
SMILESCC(CC(C)(C)OCC(C)C(C)(C)C(C)(C)OCCC(C)(C)C(C)(C)OCC(C)C(C)(C)N)NC(=O)C(C)(C)C(F)(F)C(C)(C)F
InChIInChI=1S/C37H73F3N2O4/c1-25(23-45-30(6,7)22-27(3)42-28(43)32(10,11)37(39,40)34(14,15)38)31(8,9)36(18,19)44-21-20-29(4,5)35(16,17)46-24-26(2)33(12,13)41/h25-27H,20-24,41H2,1-19H3,(H,42,43)
InChIKeyNIIZHFRYQSCGHV-UHFFFAOYSA-N
MW667.00 g/mol
LogP9.13
Rot. Bonds20

About N-[4-[4-[4-(3-amino-2,3-dimethylbutoxy)-3,3,4-trimethylpentoxy]-2,3,3,4-tetramethylpentoxy]-4-methylpentan-2-yl]-3,3,4-trifluoro-2,2,4-trimethylpentanamide

N-[4-[4-[4-(3-amino-2,3-dimethylbutoxy)-3,3,4-trimethylpentoxy]-2,3,3,4-tetramethylpentoxy]-4-methylpentan-2-yl]-3,3,4-trifluoro-2,2,4-trimethylpentanamide (PubChem CID 129140644) has the molecular formula C37H73F3N2O4 and a molecular weight of 667.00 g/mol. Its IUPAC name is N-[4-[4-[4-(3-amino-2,3-dimethylbutoxy)-3,3,4-trimethylpentoxy]-2,3,3,4-tetramethylpentoxy]-4-methylpentan-2-yl]-3,3,4-trifluoro-2,2,4-trimethylpentanamide.

Molecular Properties

Compound NameN-[4-[4-[4-(3-amino-2,3-dimethylbutoxy)-3,3,4-trimethylpentoxy]-2,3,3,4-tetramethylpentoxy]-4-methylpentan-2-yl]-3,3,4-trifluoro-2,2,4-trimethylpentanamide
PubChem CID129140644
Molecular FormulaC37H73F3N2O4
Molecular Weight667.00 g/mol
Exact Mass666.55
IUPAC NameN-[4-[4-[4-(3-amino-2,3-dimethylbutoxy)-3,3,4-trimethylpentoxy]-2,3,3,4-tetramethylpentoxy]-4-methylpentan-2-yl]-3,3,4-trifluoro-2,2,4-trimethylpentanamide
SMILESCC(CC(C)(C)OCC(C)C(C)(C)C(C)(C)OCCC(C)(C)C(C)(C)OCC(C)C(C)(C)N)NC(=O)C(C)(C)C(F)(F)C(C)(C)F
InChIInChI=1S/C37H73F3N2O4/c1-25(23-45-30(6,7)22-27(3)42-28(43)32(10,11)37(39,40)34(14,15)38)31(8,9)36(18,19)44-21-20-29(4,5)35(16,17)46-24-26(2)33(12,13)41/h25-27H,20-24,41H2,1-19H3,(H,42,43)
InChIKeyNIIZHFRYQSCGHV-UHFFFAOYSA-N
XLogP9.13
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.00
LogP ≤ 59.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-[4-(3-amino-2,3-dimethylbutoxy)-3,3,4-trimethylpentoxy]-2,3,3,4-tetramethylpentoxy]-4-methylpentan-2-yl]-3,3,4-trifluoro-2,2,4-trimethylpentanamide with MolForge

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Related Compounds

4-[5-[5-(3-amino-2-methylbutan-2-yl)oxy-2,3,3,4-tetramethylpentan-2-yl]oxy-2,3,3-trimethylpentan-2-yl]oxy-2,3-dimethylbutan-2-amine
CID 175624779
2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-amine
CID 89018610
4-[4-[4-(3-amino-2,3-dimethylbutoxy)-3,3,4-trimethylpentoxy]-2,3,3-trimethylpentoxy]-4-methylpentan-2-amine
CID 89130713
2-methyl-4-[2,3,3,4-tetramethyl-5-(2,3,3-trimethyl-5-propan-2-yloxypentan-2-yl)oxypentan-2-yl]oxybutan-2-ol
CID 90349773
4-(3-amino-2,3-dimethylbutoxy)-3,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-amine
CID 131965733
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2,2,3-trimethylbutanamide
CID 107218704
2-amino-3,3,3-trifluoro-N-(4-methoxybutan-2-yl)-2-methylpropanamide
CID 79812031
2-[[2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 88941520
5-[5-[5-[4-[3-[5-[5-(4-hydroxybutoxy)pentoxy]-5-methylhexoxy]propoxy]-2,3,3,4-tetramethylpentoxy]-5-methylhexoxy]-5-methylhexoxy]-5-methylhexan-1-ol
CID 166789200
4-[[4-[5-(3-methoxy-3-methylbutoxy)-4,4,5-trimethylhexan-2-yl]oxy-4-methylpentan-2-yl]amino]-4-oxobutanoic acid
CID 166854702
2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide
CID 79790165
2,2-difluoro-N-(1-hydroxypropan-2-yl)propanamide
CID 126988442

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(3-amino-2,3-dimethylbutoxy)-3,3,4-trimethylpentoxy]-2,3,3,4-tetramethylpentoxy]-4-methylpentan-2-yl]-3,3,4-trifluoro-2,2,4-trimethylpentanamide?
The IUPAC name of N-[4-[4-[4-(3-amino-2,3-dimethylbutoxy)-3,3,4-trimethylpentoxy]-2,3,3,4-tetramethylpentoxy]-4-methylpentan-2-yl]-3,3,4-trifluoro-2,2,4-trimethylpentanamide (CID 129140644) is N-[4-[4-[4-(3-amino-2,3-dimethylbutoxy)-3,3,4-trimethylpentoxy]-2,3,3,4-tetramethylpentoxy]-4-methylpentan-2-yl]-3,3,4-trifluoro-2,2,4-trimethylpentanamide.
What is the SMILES notation for N-[4-[4-[4-(3-amino-2,3-dimethylbutoxy)-3,3,4-trimethylpentoxy]-2,3,3,4-tetramethylpentoxy]-4-methylpentan-2-yl]-3,3,4-trifluoro-2,2,4-trimethylpentanamide?
The canonical SMILES for N-[4-[4-[4-(3-amino-2,3-dimethylbutoxy)-3,3,4-trimethylpentoxy]-2,3,3,4-tetramethylpentoxy]-4-methylpentan-2-yl]-3,3,4-trifluoro-2,2,4-trimethylpentanamide is CC(CC(C)(C)OCC(C)C(C)(C)C(C)(C)OCCC(C)(C)C(C)(C)OCC(C)C(C)(C)N)NC(=O)C(C)(C)C(F)(F)C(C)(C)F.
What is the InChIKey of N-[4-[4-[4-(3-amino-2,3-dimethylbutoxy)-3,3,4-trimethylpentoxy]-2,3,3,4-tetramethylpentoxy]-4-methylpentan-2-yl]-3,3,4-trifluoro-2,2,4-trimethylpentanamide?
The InChIKey is NIIZHFRYQSCGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H73F3N2O4/c1-25(23-45-30(6,7)22-27(3)42-28(43)32(10,11)37(39,40)34(14,15)38)31(8,9)36(18,19)44-21-20-29(4,5)35(16,17)46-24-26(2)33(12,13)41/h25-27H,20-24,41H2,1-19H3,(H,42,43).
What are the key properties of N-[4-[4-[4-(3-amino-2,3-dimethylbutoxy)-3,3,4-trimethylpentoxy]-2,3,3,4-tetramethylpentoxy]-4-methylpentan-2-yl]-3,3,4-trifluoro-2,2,4-trimethylpentanamide?
N-[4-[4-[4-(3-amino-2,3-dimethylbutoxy)-3,3,4-trimethylpentoxy]-2,3,3,4-tetramethylpentoxy]-4-methylpentan-2-yl]-3,3,4-trifluoro-2,2,4-trimethylpentanamide has a molecular weight of 667.00 g/mol, XLogP of 9.13, 20 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(3-amino-2,3-dimethylbutoxy)-3,3,4-trimethylpentoxy]-2,3,3,4-tetramethylpentoxy]-4-methylpentan-2-yl]-3,3,4-trifluoro-2,2,4-trimethylpentanamide is sourced from PubChem (CID 129140644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).