2-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide

C17H27N3O — CID 64823135

IUPAC2-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCCCC2N)cc1
InChIInChI=1S/C17H27N3O/c1-3-20(4-2)14-11-9-13(10-12-14)19-17(21)15-7-5-6-8-16(15)18/h9-12,15-16H,3-8,18H2,1-2H3,(H,19,21)
InChIKeyICHFEWPSKBYXKL-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.99
Rot. Bonds5

About 2-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide

2-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide (PubChem CID 64823135) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
PubChem CID64823135
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCCCC2N)cc1
InChIInChI=1S/C17H27N3O/c1-3-20(4-2)14-11-9-13(10-12-14)19-17(21)15-7-5-6-8-16(15)18/h9-12,15-16H,3-8,18H2,1-2H3,(H,19,21)
InChIKeyICHFEWPSKBYXKL-UHFFFAOYSA-N
XLogP2.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 64823317
2-amino-N-[4-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 64823318
2-amino-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 12512511
2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide
CID 64816780
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384
2-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64816977
4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
CID 60847830
2-amino-N-(4-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64825119
(1S,2R,4S)-N-[4-(diethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 6952943
1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142108
1-N-cyclopentyl-4-N-[4-(diethylamino)phenyl]cyclohexane-1,4-dicarboxamide
CID 109145889
2-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670661

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide (CID 64823135) is 2-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide is CCN(CC)c1ccc(NC(=O)C2CCCCC2N)cc1.
What is the InChIKey of 2-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide?
The InChIKey is ICHFEWPSKBYXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-20(4-2)14-11-9-13(10-12-14)19-17(21)15-7-5-6-8-16(15)18/h9-12,15-16H,3-8,18H2,1-2H3,(H,19,21).
What are the key properties of 2-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide?
2-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64823135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).