N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide

C14H21N3O2 — CID 76891982

IUPACN-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
SMILESCC(=O)Nc1cccc(NC(=O)C(N)C(C)(C)C)c1
InChIInChI=1S/C14H21N3O2/c1-9(18)16-10-6-5-7-11(8-10)17-13(19)12(15)14(2,3)4/h5-8,12H,15H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyZMYCBGCXZDFVQI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.96
Rot. Bonds3

About N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide

N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide (PubChem CID 76891982) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
PubChem CID76891982
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
SMILESCC(=O)Nc1cccc(NC(=O)C(N)C(C)(C)C)c1
InChIInChI=1S/C14H21N3O2/c1-9(18)16-10-6-5-7-11(8-10)17-13(19)12(15)14(2,3)4/h5-8,12H,15H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyZMYCBGCXZDFVQI-UHFFFAOYSA-N
XLogP1.96
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76888107
(2S)-2-amino-N-(3-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670393
(2S)-2-amino-3,3-dimethyl-N-(3-methylsulfinylphenyl)butanamide;hydrochloride
CID 119743912
(2S)-2-amino-3,3-dimethyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride
CID 119686872
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
(2S)-2-amino-3,3-dimethyl-N-(3-methylsulfanylphenyl)butanamide;hydrochloride
CID 119671133
(E)-3-[3-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]prop-2-enoic acid
CID 115867128
3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide
CID 76887735
2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887533
(2S)-2-amino-3,3-dimethyl-N-[3-(propylsulfonylamino)phenyl]butanamide
CID 119794996
2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 70963721
(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide
CID 61178466

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide?
The IUPAC name of N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide (CID 76891982) is N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide is CC(=O)Nc1cccc(NC(=O)C(N)C(C)(C)C)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide?
The InChIKey is ZMYCBGCXZDFVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(18)16-10-6-5-7-11(8-10)17-13(19)12(15)14(2,3)4/h5-8,12H,15H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide?
N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide has a molecular weight of 263.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide is sourced from PubChem (CID 76891982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).