N-(3-acetamido-4-methylphenyl)-3-amino-3-methylbutanamide

C14H21N3O2 — CID 64684853

IUPACN-(3-acetamido-4-methylphenyl)-3-amino-3-methylbutanamide
SMILESCC(=O)Nc1cc(NC(=O)CC(C)(C)N)ccc1C
InChIInChI=1S/C14H21N3O2/c1-9-5-6-11(7-12(9)16-10(2)18)17-13(19)8-14(3,4)15/h5-7H,8,15H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyNQOUUEFLPQRMJU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.02
Rot. Bonds4

About N-(3-acetamido-4-methylphenyl)-3-amino-3-methylbutanamide

N-(3-acetamido-4-methylphenyl)-3-amino-3-methylbutanamide (PubChem CID 64684853) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(3-acetamido-4-methylphenyl)-3-amino-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methylphenyl)-3-amino-3-methylbutanamide
PubChem CID64684853
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(3-acetamido-4-methylphenyl)-3-amino-3-methylbutanamide
SMILESCC(=O)Nc1cc(NC(=O)CC(C)(C)N)ccc1C
InChIInChI=1S/C14H21N3O2/c1-9-5-6-11(7-12(9)16-10(2)18)17-13(19)8-14(3,4)15/h5-7H,8,15H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyNQOUUEFLPQRMJU-UHFFFAOYSA-N
XLogP2.02
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide
CID 61178466
N-(3-acetamido-4-methylphenyl)-3-amino-2,2-dimethylpropanamide;hydrochloride
CID 119711356
3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 64684929
N-(5-acetamido-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950028
2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide
CID 60536243
(2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 103928627
N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-methylphenyl]acetamide
CID 81412241
3-amino-N-(3,4-dicyanophenyl)-3-methylbutanamide
CID 107790582
(2S)-N-(3-acetamido-4-methylphenyl)-2-aminobutanamide
CID 79024532
N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide
CID 110006528
2,2-dimethyl-N-[2-methyl-5-[[2-(methylamino)acetyl]amino]phenyl]propanamide
CID 119780770
N-(3-acetamido-4-methylphenyl)-2-(azetidin-3-yl)acetamide
CID 64618777

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methylphenyl)-3-amino-3-methylbutanamide?
The IUPAC name of N-(3-acetamido-4-methylphenyl)-3-amino-3-methylbutanamide (CID 64684853) is N-(3-acetamido-4-methylphenyl)-3-amino-3-methylbutanamide.
What is the SMILES notation for N-(3-acetamido-4-methylphenyl)-3-amino-3-methylbutanamide?
The canonical SMILES for N-(3-acetamido-4-methylphenyl)-3-amino-3-methylbutanamide is CC(=O)Nc1cc(NC(=O)CC(C)(C)N)ccc1C.
What is the InChIKey of N-(3-acetamido-4-methylphenyl)-3-amino-3-methylbutanamide?
The InChIKey is NQOUUEFLPQRMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-5-6-11(7-12(9)16-10(2)18)17-13(19)8-14(3,4)15/h5-7H,8,15H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-acetamido-4-methylphenyl)-3-amino-3-methylbutanamide?
N-(3-acetamido-4-methylphenyl)-3-amino-3-methylbutanamide has a molecular weight of 263.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methylphenyl)-3-amino-3-methylbutanamide is sourced from PubChem (CID 64684853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).