3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride

C17H24ClN3O2 — CID 119700136

IUPAC3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1
InChIInChI=1S/C17H23N3O2.ClH/c18-13-3-1-2-12(10-13)17(22)20-15-8-6-14(7-9-15)19-16(21)11-4-5-11;/h6-9,11-13H,1-5,10,18H2,(H,19,21)(H,20,22);1H
InChIKeyZZVAMOPDDYGRMI-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.91
Rot. Bonds4

About 3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119700136) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119700136
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1
InChIInChI=1S/C17H23N3O2.ClH/c18-13-3-1-2-12(10-13)17(22)20-15-8-6-14(7-9-15)19-16(21)11-4-5-11;/h6-9,11-13H,1-5,10,18H2,(H,19,21)(H,20,22);1H
InChIKeyZZVAMOPDDYGRMI-UHFFFAOYSA-N
XLogP2.91
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
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CID 119670664
3-amino-N-[4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119676533
3-amino-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
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3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 63041991
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119700136) is 3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1.
What is the InChIKey of 3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is ZZVAMOPDDYGRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.ClH/c18-13-3-1-2-12(10-13)17(22)20-15-8-6-14(7-9-15)19-16(21)11-4-5-11;/h6-9,11-13H,1-5,10,18H2,(H,19,21)(H,20,22);1H.
What are the key properties of 3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119700136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).