N-(5-amino-2-methylphenyl)-6-(cyclohexylcarbamoylamino)hexanamide;hydrochloride

C20H33ClN4O2 — CID 120568203

IUPACN-(5-amino-2-methylphenyl)-6-(cyclohexylcarbamoylamino)hexanamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)CCCCCNC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C20H32N4O2.ClH/c1-15-11-12-16(21)14-18(15)24-19(25)10-6-3-7-13-22-20(26)23-17-8-4-2-5-9-17;/h11-12,14,17H,2-10,13,21H2,1H3,(H,24,25)(H2,22,23,26);1H
InChIKeyGVZVYOYGWYQGHM-UHFFFAOYSA-N
MW396.96 g/mol
LogP4.13
Rot. Bonds8

About N-(5-amino-2-methylphenyl)-6-(cyclohexylcarbamoylamino)hexanamide;hydrochloride

N-(5-amino-2-methylphenyl)-6-(cyclohexylcarbamoylamino)hexanamide;hydrochloride (PubChem CID 120568203) has the molecular formula C20H33ClN4O2 and a molecular weight of 396.96 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-6-(cyclohexylcarbamoylamino)hexanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-6-(cyclohexylcarbamoylamino)hexanamide;hydrochloride
PubChem CID120568203
Molecular FormulaC20H33ClN4O2
Molecular Weight396.96 g/mol
Exact Mass396.23
IUPAC NameN-(5-amino-2-methylphenyl)-6-(cyclohexylcarbamoylamino)hexanamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)CCCCCNC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C20H32N4O2.ClH/c1-15-11-12-16(21)14-18(15)24-19(25)10-6-3-7-13-22-20(26)23-17-8-4-2-5-9-17;/h11-12,14,17H,2-10,13,21H2,1H3,(H,24,25)(H2,22,23,26);1H
InChIKeyGVZVYOYGWYQGHM-UHFFFAOYSA-N
XLogP4.13
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.96
LogP ≤ 54.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[6-(cyclohexylcarbamoylamino)hexanoylamino]-N,6-dimethylbenzamide
CID 86955767
N-[4-(5-amino-2-methylanilino)-4-oxobutyl]cyclopropanecarboxamide
CID 120568117
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
N-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride
CID 120569234
N-(5-tert-butyl-2-hydroxyphenyl)-4-(cyclohexylcarbamoylamino)butanamide
CID 31031780
3-[6-(cyclohexylcarbamoylamino)hexanoylamino]benzoic acid
CID 119219607
N-(5-amino-2-methylphenyl)-3-cyclobutyloxypropanamide
CID 62116315
N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide
CID 43266810
N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride
CID 120568872
N-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide
CID 16779127
N-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide
CID 63115345
N'-(5-amino-2-methylphenyl)-N-propylpentanediamide
CID 120568724

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-6-(cyclohexylcarbamoylamino)hexanamide;hydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-6-(cyclohexylcarbamoylamino)hexanamide;hydrochloride (CID 120568203) is N-(5-amino-2-methylphenyl)-6-(cyclohexylcarbamoylamino)hexanamide;hydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-6-(cyclohexylcarbamoylamino)hexanamide;hydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-6-(cyclohexylcarbamoylamino)hexanamide;hydrochloride is Cc1ccc(N)cc1NC(=O)CCCCCNC(=O)NC1CCCCC1.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-6-(cyclohexylcarbamoylamino)hexanamide;hydrochloride?
The InChIKey is GVZVYOYGWYQGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2.ClH/c1-15-11-12-16(21)14-18(15)24-19(25)10-6-3-7-13-22-20(26)23-17-8-4-2-5-9-17;/h11-12,14,17H,2-10,13,21H2,1H3,(H,24,25)(H2,22,23,26);1H.
What are the key properties of N-(5-amino-2-methylphenyl)-6-(cyclohexylcarbamoylamino)hexanamide;hydrochloride?
N-(5-amino-2-methylphenyl)-6-(cyclohexylcarbamoylamino)hexanamide;hydrochloride has a molecular weight of 396.96 g/mol, XLogP of 4.13, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-6-(cyclohexylcarbamoylamino)hexanamide;hydrochloride is sourced from PubChem (CID 120568203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).