3-amino-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride

C18H28ClN3O2 — CID 119725765

IUPAC3-amino-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-11(2)17(22)20-15-8-7-12(3)16(10-15)21-18(23)13-5-4-6-14(19)9-13;/h7-8,10-11,13-14H,4-6,9,19H2,1-3H3,(H,20,22)(H,21,23);1H
InChIKeyMDFHMPUWSDOYMD-UHFFFAOYSA-N
MW353.89 g/mol
LogP3.47
Rot. Bonds4

About 3-amino-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119725765) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 3-amino-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119725765
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name3-amino-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-11(2)17(22)20-15-8-7-12(3)16(10-15)21-18(23)13-5-4-6-14(19)9-13;/h7-8,10-11,13-14H,4-6,9,19H2,1-3H3,(H,20,22)(H,21,23);1H
InChIKeyMDFHMPUWSDOYMD-UHFFFAOYSA-N
XLogP3.47
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride
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3-[(3-aminocyclohexanecarbonyl)amino]-4-methyl-N-phenylbenzamide
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N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide
CID 119707616
3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide
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3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide
CID 66032471
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
3-amino-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 66030675
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CID 46455101
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119725765) is 3-amino-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is MDFHMPUWSDOYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-11(2)17(22)20-15-8-7-12(3)16(10-15)21-18(23)13-5-4-6-14(19)9-13;/h7-8,10-11,13-14H,4-6,9,19H2,1-3H3,(H,20,22)(H,21,23);1H.
What are the key properties of 3-amino-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 3.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119725765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).