3,3-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]butanamide

C16H24N2O2 — CID 26907229

IUPAC3,3-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]butanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)CC(C)(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-11(2)15(20)18-13-8-6-12(7-9-13)17-14(19)10-16(3,4)5/h6-9,11H,10H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyOFFCKVVCOQMGLT-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.66
Rot. Bonds4

About 3,3-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]butanamide

3,3-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]butanamide (PubChem CID 26907229) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3,3-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]butanamide
PubChem CID26907229
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3,3-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]butanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)CC(C)(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-11(2)15(20)18-13-8-6-12(7-9-13)17-14(19)10-16(3,4)5/h6-9,11H,10H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyOFFCKVVCOQMGLT-UHFFFAOYSA-N
XLogP3.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 39130919
2-methyl-N-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]propanamide
CID 115950293
3,3-dimethyl-N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide
CID 22776030
N-(4-formylphenyl)-3,3-dimethylbutanamide
CID 106912209
2-methyl-N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanamide
CID 54818036
N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide
CID 54830466
3,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide
CID 46403524
N-[4-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19631000
N-[4-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 112759140
N-[4-(2-bromoethyl)phenyl]-3,3-dimethylbutanamide
CID 114310364
N-[4-(cyanomethyl)phenyl]-3,3-dimethylbutanamide
CID 55021427
2-[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]sulfanylacetic acid
CID 115575099

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]butanamide (CID 26907229) is 3,3-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]butanamide is CC(C)C(=O)Nc1ccc(NC(=O)CC(C)(C)C)cc1.
What is the InChIKey of 3,3-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]butanamide?
The InChIKey is OFFCKVVCOQMGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)15(20)18-13-8-6-12(7-9-13)17-14(19)10-16(3,4)5/h6-9,11H,10H2,1-5H3,(H,17,19)(H,18,20).
What are the key properties of 3,3-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]butanamide?
3,3-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]butanamide has a molecular weight of 276.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]butanamide is sourced from PubChem (CID 26907229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).