4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexylbenzamide

C19H29N3O2 — CID 119747199

IUPAC4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexylbenzamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H29N3O2/c1-13(2)12-17(20)19(24)22-16-10-8-14(9-11-16)18(23)21-15-6-4-3-5-7-15/h8-11,13,15,17H,3-7,12,20H2,1-2H3,(H,21,23)(H,22,24)/t17-/m0/s1
InChIKeyHVUPWGYEVOIDDH-KRWDZBQOSA-N
MW331.46 g/mol
LogP3.06
Rot. Bonds6

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

4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexylbenzamide (PubChem CID 119747199) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexylbenzamide
PubChem CID119747199
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexylbenzamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H29N3O2/c1-13(2)12-17(20)19(24)22-16-10-8-14(9-11-16)18(23)21-15-6-4-3-5-7-15/h8-11,13,15,17H,3-7,12,20H2,1-2H3,(H,21,23)(H,22,24)/t17-/m0/s1
InChIKeyHVUPWGYEVOIDDH-KRWDZBQOSA-N
XLogP3.06
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-4-(2-methylpropanoylamino)benzamide
CID 3901295
4-[(2-amino-3-methylpentanoyl)amino]-N-cyclohexylbenzamide;hydrochloride
CID 119747187
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexyl-N-methylbenzamide
CID 119743435
4-acetamido-N-cyclooctylbenzamide
CID 2990044
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide
CID 119756457
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 120786530
4-(2-aminopentanoylamino)-N-(oxan-4-yl)benzamide
CID 119338738
1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109044795
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-ethylbenzamide;hydrochloride
CID 119714147
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
N-[4-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252642
4-(2-bromopropanoylamino)-N-cyclopropylbenzamide
CID 107903030

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexylbenzamide?
The IUPAC name of 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexylbenzamide (CID 119747199) is 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexylbenzamide?
The canonical SMILES for 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexylbenzamide is CC(C)C[C@H](N)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexylbenzamide?
The InChIKey is HVUPWGYEVOIDDH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13(2)12-17(20)19(24)22-16-10-8-14(9-11-16)18(23)21-15-6-4-3-5-7-15/h8-11,13,15,17H,3-7,12,20H2,1-2H3,(H,21,23)(H,22,24)/t17-/m0/s1.
What are the key properties of 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexylbenzamide?
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexylbenzamide has a molecular weight of 331.46 g/mol, XLogP of 3.06, 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-4-methylpentanoyl]amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 119747199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).