1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride

C17H27ClN4O2 — CID 119279259

IUPAC1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)C2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-12(2)19-16(23)21-14-8-6-13(7-9-14)20-15(22)17(18)10-4-3-5-11-17;/h6-9,12H,3-5,10-11,18H2,1-2H3,(H,20,22)(H2,19,21,23);1H
InChIKeyZPZAQGCQXXABKK-UHFFFAOYSA-N
MW354.88 g/mol
LogP3.24
Rot. Bonds4

About 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119279259) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119279259
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)C2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-12(2)19-16(23)21-14-8-6-13(7-9-14)20-15(22)17(18)10-4-3-5-11-17;/h6-9,12H,3-5,10-11,18H2,1-2H3,(H,20,22)(H2,19,21,23);1H
InChIKeyZPZAQGCQXXABKK-UHFFFAOYSA-N
XLogP3.24
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119704507
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CID 119704508
1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
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1-amino-N-(4-butan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119298195
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1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride
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1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
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1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
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1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
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CID 54925144

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119279259) is 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride is CC(C)NC(=O)Nc1ccc(NC(=O)C2(N)CCCCC2)cc1.Cl.
What is the InChIKey of 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is ZPZAQGCQXXABKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-12(2)19-16(23)21-14-8-6-13(7-9-14)20-15(22)17(18)10-4-3-5-11-17;/h6-9,12H,3-5,10-11,18H2,1-2H3,(H,20,22)(H2,19,21,23);1H.
What are the key properties of 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 3.24, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119279259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).