N-[3-(difluoromethyl)-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,3-dimethyl-2-propan-2-ylbutanamide

C20H31F2NO2 — CID 167081681

IUPACN-[3-(difluoromethyl)-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,3-dimethyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)Nc1ccc(OC(C)(C)C)c(C(F)F)c1)C(C)(C)C
InChIInChI=1S/C20H31F2NO2/c1-12(2)16(19(3,4)5)18(24)23-13-9-10-15(25-20(6,7)8)14(11-13)17(21)22/h9-12,16-17H,1-8H3,(H,23,24)
InChIKeySOSGRZCZJCQUJP-UHFFFAOYSA-N
MW355.47 g/mol
LogP6.06
Rot. Bonds5

About N-[3-(difluoromethyl)-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,3-dimethyl-2-propan-2-ylbutanamide

N-[3-(difluoromethyl)-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,3-dimethyl-2-propan-2-ylbutanamide (PubChem CID 167081681) has the molecular formula C20H31F2NO2 and a molecular weight of 355.47 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,3-dimethyl-2-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,3-dimethyl-2-propan-2-ylbutanamide
PubChem CID167081681
Molecular FormulaC20H31F2NO2
Molecular Weight355.47 g/mol
Exact Mass355.23
IUPAC NameN-[3-(difluoromethyl)-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,3-dimethyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)Nc1ccc(OC(C)(C)C)c(C(F)F)c1)C(C)(C)C
InChIInChI=1S/C20H31F2NO2/c1-12(2)16(19(3,4)5)18(24)23-13-9-10-15(25-20(6,7)8)14(11-13)17(21)22/h9-12,16-17H,1-8H3,(H,23,24)
InChIKeySOSGRZCZJCQUJP-UHFFFAOYSA-N
XLogP6.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.47
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-(difluoromethyl)-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,3-dimethyl-2-propan-2-ylbutanamide with MolForge

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Related Compounds

(2S)-2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide;hydrochloride
CID 119305650
N-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide
CID 119419413
(2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928285
[2-(1-acetyloxyethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] acetate
CID 58076464
(2S)-2-amino-3,3-dimethyl-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
CID 119802599
(4-methoxy-3-propan-2-ylphenyl)carbamothioic S-acid
CID 115169665
methyl 6-[2-(difluoromethyl)-4-(2-methylbutanoylamino)phenoxy]-3,4,5-trimethyloxane-2-carboxylate
CID 161286656
(2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 61179599
2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 54862511
(2S)-2-amino-N-(4-ethoxy-3-fluorophenyl)-3-methylbutanamide
CID 113264021
(2R)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928800
N-[3-(chloromethyl)-4-ethoxyphenyl]-2-methylpropanamide
CID 114302916

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,3-dimethyl-2-propan-2-ylbutanamide?
The IUPAC name of N-[3-(difluoromethyl)-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,3-dimethyl-2-propan-2-ylbutanamide (CID 167081681) is N-[3-(difluoromethyl)-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,3-dimethyl-2-propan-2-ylbutanamide.
What is the SMILES notation for N-[3-(difluoromethyl)-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,3-dimethyl-2-propan-2-ylbutanamide?
The canonical SMILES for N-[3-(difluoromethyl)-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,3-dimethyl-2-propan-2-ylbutanamide is CC(C)C(C(=O)Nc1ccc(OC(C)(C)C)c(C(F)F)c1)C(C)(C)C.
What is the InChIKey of N-[3-(difluoromethyl)-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,3-dimethyl-2-propan-2-ylbutanamide?
The InChIKey is SOSGRZCZJCQUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31F2NO2/c1-12(2)16(19(3,4)5)18(24)23-13-9-10-15(25-20(6,7)8)14(11-13)17(21)22/h9-12,16-17H,1-8H3,(H,23,24).
What are the key properties of N-[3-(difluoromethyl)-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,3-dimethyl-2-propan-2-ylbutanamide?
N-[3-(difluoromethyl)-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,3-dimethyl-2-propan-2-ylbutanamide has a molecular weight of 355.47 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,3-dimethyl-2-propan-2-ylbutanamide is sourced from PubChem (CID 167081681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).