N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclohexanecarboxamide;hydrochloride

C19H30ClN3O2 — CID 119814666

IUPACN-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclohexanecarboxamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-13(2)11-17(20)19(24)22-16-10-6-9-15(12-16)21-18(23)14-7-4-3-5-8-14;/h6,9-10,12-14,17H,3-5,7-8,11,20H2,1-2H3,(H,21,23)(H,22,24);1H/t17-;/m0./s1
InChIKeyQZUVTWUUJPUGMT-LMOVPXPDSA-N
MW367.92 g/mol
LogP3.94
Rot. Bonds6

About N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclohexanecarboxamide;hydrochloride

N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclohexanecarboxamide;hydrochloride (PubChem CID 119814666) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclohexanecarboxamide;hydrochloride
PubChem CID119814666
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC NameN-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclohexanecarboxamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-13(2)11-17(20)19(24)22-16-10-6-9-15(12-16)21-18(23)14-7-4-3-5-8-14;/h6,9-10,12-14,17H,3-5,7-8,11,20H2,1-2H3,(H,21,23)(H,22,24);1H/t17-;/m0./s1
InChIKeyQZUVTWUUJPUGMT-LMOVPXPDSA-N
XLogP3.94
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252642
N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide
CID 16796065
N-[3-(1-aminoethyl)phenyl]cyclopentanecarboxamide
CID 16787772
(2S)-2-amino-N-[3-(azepan-1-yl)phenyl]-4-methylpentanamide
CID 119892187
(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942
(2S)-2-amino-N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-4-methylpentanamide
CID 119870437
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793
N-(1-amino-4-methylpentan-2-yl)-3-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 119588133
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
N-[3-[[(2S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61250751
2-amino-N-(3-ethynylphenyl)-4-methylpentanamide
CID 24698325

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclohexanecarboxamide;hydrochloride (CID 119814666) is N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclohexanecarboxamide;hydrochloride is CC(C)C[C@H](N)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1.Cl.
What is the InChIKey of N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is QZUVTWUUJPUGMT-LMOVPXPDSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-13(2)11-17(20)19(24)22-16-10-6-9-15(12-16)21-18(23)14-7-4-3-5-8-14;/h6,9-10,12-14,17H,3-5,7-8,11,20H2,1-2H3,(H,21,23)(H,22,24);1H/t17-;/m0./s1.
What are the key properties of N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclohexanecarboxamide;hydrochloride?
N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 119814666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).