4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide

C15H23N3O2 — CID 61174601

IUPAC4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)[C@@H](N)C(C)CC)cc1
InChIInChI=1S/C15H23N3O2/c1-4-10(3)13(16)15(20)18-12-8-6-11(7-9-12)14(19)17-5-2/h6-10,13H,4-5,16H2,1-3H3,(H,17,19)(H,18,20)/t10?,13-/m0/s1
InChIKeyDEVVXYNAJHKKQP-HQVZTVAUSA-N
MW277.37 g/mol
LogP1.75
Rot. Bonds6

About 4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide

4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide (PubChem CID 61174601) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide
PubChem CID61174601
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)[C@@H](N)C(C)CC)cc1
InChIInChI=1S/C15H23N3O2/c1-4-10(3)13(16)15(20)18-12-8-6-11(7-9-12)14(19)17-5-2/h6-10,13H,4-5,16H2,1-3H3,(H,17,19)(H,18,20)/t10?,13-/m0/s1
InChIKeyDEVVXYNAJHKKQP-HQVZTVAUSA-N
XLogP1.75
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminopropanoylamino)-N-ethylbenzamide
CID 43712262
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride
CID 119756450
methyl 4-[(2-amino-3-methylpentanoyl)amino]benzoate
CID 61258918
(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide
CID 22690860
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-ethylbenzamide;hydrochloride
CID 119714147
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 42313687
2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
CID 43702138
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide?
The IUPAC name of 4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide (CID 61174601) is 4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide?
The canonical SMILES for 4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide is CCNC(=O)c1ccc(NC(=O)[C@@H](N)C(C)CC)cc1.
What is the InChIKey of 4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide?
The InChIKey is DEVVXYNAJHKKQP-HQVZTVAUSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-10(3)13(16)15(20)18-12-8-6-11(7-9-12)14(19)17-5-2/h6-10,13H,4-5,16H2,1-3H3,(H,17,19)(H,18,20)/t10?,13-/m0/s1.
What are the key properties of 4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide?
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 61174601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).