3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide

C14H21N3O3 — CID 76887811

IUPAC3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)C(N)C(C)(C)C
InChIInChI=1S/C14H21N3O3/c1-14(2,3)11(15)13(19)17-9-7-8(12(16)18)5-6-10(9)20-4/h5-7,11H,15H2,1-4H3,(H2,16,18)(H,17,19)
InChIKeyRYDFMSCJMPFVKJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.11
Rot. Bonds4

About 3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide

3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide (PubChem CID 76887811) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide
PubChem CID76887811
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)C(N)C(C)(C)C
InChIInChI=1S/C14H21N3O3/c1-14(2,3)11(15)13(19)17-9-7-8(12(16)18)5-6-10(9)20-4/h5-7,11H,15H2,1-4H3,(H2,16,18)(H,17,19)
InChIKeyRYDFMSCJMPFVKJ-UHFFFAOYSA-N
XLogP1.11
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 76892238
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 61149030
(2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928652
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-chlorobenzamide
CID 61154980
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 54967646
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-fluorobenzamide;hydrochloride
CID 119727619
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide
CID 61179555
3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzamide
CID 103831255
4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374757
4-methoxy-3-(2-methylpropanoylamino)benzoic acid
CID 63742748
4-methoxy-3-(2-phenoxypropanoylamino)benzamide
CID 5341454
4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide?
The IUPAC name of 3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide (CID 76887811) is 3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide.
What is the SMILES notation for 3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide?
The canonical SMILES for 3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1NC(=O)C(N)C(C)(C)C.
What is the InChIKey of 3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide?
The InChIKey is RYDFMSCJMPFVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,3)11(15)13(19)17-9-7-8(12(16)18)5-6-10(9)20-4/h5-7,11H,15H2,1-4H3,(H2,16,18)(H,17,19).
What are the key properties of 3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide?
3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide has a molecular weight of 279.34 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide is sourced from PubChem (CID 76887811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).