N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide

C16H23N3O2 — CID 63043939

IUPACN-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C16H23N3O2/c1-10-6-7-14(18-11(2)20)9-15(10)19-16(21)12-4-3-5-13(17)8-12/h6-7,9,12-13H,3-5,8,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyZIBSYHIDHFGJGJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.41
Rot. Bonds3

About N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide

N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide (PubChem CID 63043939) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide
PubChem CID63043939
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C16H23N3O2/c1-10-6-7-14(18-11(2)20)9-15(10)19-16(21)12-4-3-5-13(17)8-12/h6-7,9,12-13H,3-5,8,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyZIBSYHIDHFGJGJ-UHFFFAOYSA-N
XLogP2.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119725765
N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide
CID 119707616
N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride
CID 119705036
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide
CID 63044315
3-[(3-aminocyclohexanecarbonyl)amino]-4-methyl-N-phenylbenzamide
CID 119712024
3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide
CID 63042324
N-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide
CID 119707704
3-amino-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 66030675
3-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 63042143
3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide
CID 66032471
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide (CID 63043939) is N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide is CC(=O)Nc1ccc(C)c(NC(=O)C2CCCC(N)C2)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide?
The InChIKey is ZIBSYHIDHFGJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10-6-7-14(18-11(2)20)9-15(10)19-16(21)12-4-3-5-13(17)8-12/h6-7,9,12-13H,3-5,8,17H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide?
N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide is sourced from PubChem (CID 63043939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).