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

C17H27N3O — CID 60847830

IUPAC4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCC(N)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-3-20(4-2)16-11-9-15(10-12-16)19-17(21)13-5-7-14(18)8-6-13/h9-14H,3-8,18H2,1-2H3,(H,19,21)
InChIKeyHHXGBINQMLIFSV-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.99
Rot. Bonds5

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

4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide (PubChem CID 60847830) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
PubChem CID60847830
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCC(N)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-3-20(4-2)16-11-9-15(10-12-16)19-17(21)13-5-7-14(18)8-6-13/h9-14H,3-8,18H2,1-2H3,(H,19,21)
InChIKeyHHXGBINQMLIFSV-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

N-[4-(diethylamino)phenyl]oxane-4-carboxamide
CID 51188941
1-N-cyclopentyl-4-N-[4-(diethylamino)phenyl]cyclohexane-1,4-dicarboxamide
CID 109145889
4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 60849621
2-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
CID 64823135
4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 60847909
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 60847300
1-N-(4-aminocyclohexyl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 79725282
(3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide
CID 28807399
4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 60848648
4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 19206977
N-[4-(diethylamino)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 42956709

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide (CID 60847830) is 4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide is CCN(CC)c1ccc(NC(=O)C2CCC(N)CC2)cc1.
What is the InChIKey of 4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide?
The InChIKey is HHXGBINQMLIFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-20(4-2)16-11-9-15(10-12-16)19-17(21)13-5-7-14(18)8-6-13/h9-14H,3-8,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide?
4-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 4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 60847830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).