4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexyl-N-methylbenzamide

C20H31N3O2 — CID 119743435

IUPAC4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexyl-N-methylbenzamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C20H31N3O2/c1-14(2)13-18(21)19(24)22-16-11-9-15(10-12-16)20(25)23(3)17-7-5-4-6-8-17/h9-12,14,17-18H,4-8,13,21H2,1-3H3,(H,22,24)/t18-/m0/s1
InChIKeyJPJTUOAEPXAGES-SFHVURJKSA-N
MW345.49 g/mol
LogP3.40
Rot. Bonds6

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

4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexyl-N-methylbenzamide (PubChem CID 119743435) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexyl-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexyl-N-methylbenzamide
PubChem CID119743435
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexyl-N-methylbenzamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C20H31N3O2/c1-14(2)13-18(21)19(24)22-16-11-9-15(10-12-16)20(25)23(3)17-7-5-4-6-8-17/h9-12,14,17-18H,4-8,13,21H2,1-3H3,(H,22,24)/t18-/m0/s1
InChIKeyJPJTUOAEPXAGES-SFHVURJKSA-N
XLogP3.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide
CID 119717907
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119717906
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexylbenzamide
CID 119747199
N-cyclohexyl-4-[[2-(diethylamino)-2-phenylacetyl]amino]-N-methylbenzamide
CID 56580229
4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119950414
N-[4-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252642
4-[[(2R)-2-aminopropanoyl]amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 119890915
4-[(4-amino-3-methoxybutanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 120589876
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-ethylbenzamide;hydrochloride
CID 119714147
N-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119743419
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
(2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide
CID 119885345

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexyl-N-methylbenzamide?
The IUPAC name of 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexyl-N-methylbenzamide (CID 119743435) is 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexyl-N-methylbenzamide.
What is the SMILES notation for 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexyl-N-methylbenzamide?
The canonical SMILES for 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexyl-N-methylbenzamide is CC(C)C[C@H](N)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexyl-N-methylbenzamide?
The InChIKey is JPJTUOAEPXAGES-SFHVURJKSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-14(2)13-18(21)19(24)22-16-11-9-15(10-12-16)20(25)23(3)17-7-5-4-6-8-17/h9-12,14,17-18H,4-8,13,21H2,1-3H3,(H,22,24)/t18-/m0/s1.
What are the key properties of 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexyl-N-methylbenzamide?
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexyl-N-methylbenzamide has a molecular weight of 345.49 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 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-cyclohexyl-N-methylbenzamide is sourced from PubChem (CID 119743435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).