1-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide

C17H24BrN3O2 — CID 119312323

IUPAC1-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)CCNC(=O)C1(N)CCCCC1
InChIInChI=1S/C17H24BrN3O2/c1-12-5-6-13(18)11-14(12)21-15(22)7-10-20-16(23)17(19)8-3-2-4-9-17/h5-6,11H,2-4,7-10,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyWEBAJLWAZVQBSM-UHFFFAOYSA-N
MW382.30 g/mol
LogP2.86
Rot. Bonds5

About 1-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide

1-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide (PubChem CID 119312323) has the molecular formula C17H24BrN3O2 and a molecular weight of 382.30 g/mol. Its IUPAC name is 1-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide
PubChem CID119312323
Molecular FormulaC17H24BrN3O2
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC Name1-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)CCNC(=O)C1(N)CCCCC1
InChIInChI=1S/C17H24BrN3O2/c1-12-5-6-13(18)11-14(12)21-15(22)7-10-20-16(23)17(19)8-3-2-4-9-17/h5-6,11H,2-4,7-10,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyWEBAJLWAZVQBSM-UHFFFAOYSA-N
XLogP2.86
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119762938
1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119762937
1-amino-N-(5-bromo-2-methylphenyl)cyclobutane-1-carboxamide
CID 81179728
3-[(2-aminoacetyl)amino]-N-(5-bromo-2-methylphenyl)propanamide
CID 119312307
N-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852007
N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
CID 119764217
1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 24696673
1-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide;hydrochloride
CID 119311030
1-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 119341646
N-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106827400
(2R)-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-2-methylbutanamide
CID 94819863
N-(5-bromo-2-methylphenyl)butanamide
CID 43806329

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide (CID 119312323) is 1-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide is Cc1ccc(Br)cc1NC(=O)CCNC(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide?
The InChIKey is WEBAJLWAZVQBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2/c1-12-5-6-13(18)11-14(12)21-15(22)7-10-20-16(23)17(19)8-3-2-4-9-17/h5-6,11H,2-4,7-10,19H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 1-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide?
1-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide has a molecular weight of 382.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119312323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).