N-(1-amino-4-methylpentan-2-yl)-3-(cyclohexanecarbonylamino)benzamide;hydrochloride

C20H32ClN3O2 — CID 119588133

IUPACN-(1-amino-4-methylpentan-2-yl)-3-(cyclohexanecarbonylamino)benzamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cccc(NC(=O)C2CCCCC2)c1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-14(2)11-18(13-21)23-20(25)16-9-6-10-17(12-16)22-19(24)15-7-4-3-5-8-15;/h6,9-10,12,14-15,18H,3-5,7-8,11,13,21H2,1-2H3,(H,22,24)(H,23,25);1H
InChIKeyRMARCOYXIUULEL-UHFFFAOYSA-N
MW381.95 g/mol
LogP3.73
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-3-(cyclohexanecarbonylamino)benzamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-3-(cyclohexanecarbonylamino)benzamide;hydrochloride (PubChem CID 119588133) has the molecular formula C20H32ClN3O2 and a molecular weight of 381.95 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-(cyclohexanecarbonylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-(cyclohexanecarbonylamino)benzamide;hydrochloride
PubChem CID119588133
Molecular FormulaC20H32ClN3O2
Molecular Weight381.95 g/mol
Exact Mass381.22
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-(cyclohexanecarbonylamino)benzamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cccc(NC(=O)C2CCCCC2)c1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-14(2)11-18(13-21)23-20(25)16-9-6-10-17(12-16)22-19(24)15-7-4-3-5-8-15;/h6,9-10,12,14-15,18H,3-5,7-8,11,13,21H2,1-2H3,(H,22,24)(H,23,25);1H
InChIKeyRMARCOYXIUULEL-UHFFFAOYSA-N
XLogP3.73
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(cyclohexanecarbonylamino)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(cyclohexanecarbonylamino)benzamide;hydrochloride (CID 119588133) is N-(1-amino-4-methylpentan-2-yl)-3-(cyclohexanecarbonylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-(cyclohexanecarbonylamino)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-(cyclohexanecarbonylamino)benzamide;hydrochloride is CC(C)CC(CN)NC(=O)c1cccc(NC(=O)C2CCCCC2)c1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-(cyclohexanecarbonylamino)benzamide;hydrochloride?
The InChIKey is RMARCOYXIUULEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.ClH/c1-14(2)11-18(13-21)23-20(25)16-9-6-10-17(12-16)22-19(24)15-7-4-3-5-8-15;/h6,9-10,12,14-15,18H,3-5,7-8,11,13,21H2,1-2H3,(H,22,24)(H,23,25);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-(cyclohexanecarbonylamino)benzamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-3-(cyclohexanecarbonylamino)benzamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 3.73, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3-(cyclohexanecarbonylamino)benzamide;hydrochloride is sourced from PubChem (CID 119588133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).