4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide

C19H30N2O — CID 19206977

IUPAC4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(CC1)C(=O)NC2=CC=C(C=C2)N(C)C
InChIInChI=1S/C19H30N2O/c1-4-5-6-15-7-9-16(10-8-15)19(22)20-17-11-13-18(14-12-17)21(2)3/h11-16H,4-10H2,1-3H3,(H,20,22)
InChIKeyZKQWHRFKSJJTFU-UHFFFAOYSA-N
MW302.50 g/mol
LogP5.20
Rot. Bonds6

About 4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide

4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide (PubChem CID 19206977) has the molecular formula C19H30N2O and a molecular weight of 302.50 g/mol. Its IUPAC name is 4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
PubChem CID19206977
Molecular FormulaC19H30N2O
Molecular Weight302.50 g/mol
Exact Mass302.24
IUPAC Name4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(CC1)C(=O)NC2=CC=C(C=C2)N(C)C
InChIInChI=1S/C19H30N2O/c1-4-5-6-15-7-9-16(10-8-15)19(22)20-17-11-13-18(14-12-17)21(2)3/h11-16H,4-10H2,1-3H3,(H,20,22)
InChIKeyZKQWHRFKSJJTFU-UHFFFAOYSA-N
XLogP5.20
TPSA32.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity326

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.50
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Oleic Acid Anilide
CID 5354590
Propanamide, N-(3-methylphenyl)-3-phenyl-
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N-p-Benzeneacetonitrile menthanecarboxamide
CID 44467796
(2S,5R)-N-(4-(2-amino-2-oxoethyl)phenyl)-5-methyl-2-(propan-2-yl)cyclohexanecarboxamide
CID 67096018
N-(2-Methylphenyl)benzeneacetamide
CID 38661
2,2-Diphenylacetanilide
CID 252606
N,2-Diphenylacetamide
CID 225533
Ketoamide, 12
CID 25023794
ML252
CID 26873419
4-butyl-N-phenylbenzamide
CID 44450366
N-phenyl-2-(4-phenylphenyl)acetamide
CID 4852740
Upcmld05admt002042
CID 316235

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide (CID 19206977) is 4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide is CCCCC1CCC(CC1)C(=O)NC2=CC=C(C=C2)N(C)C.
What is the InChIKey of 4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide?
The InChIKey is ZKQWHRFKSJJTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-4-5-6-15-7-9-16(10-8-15)19(22)20-17-11-13-18(14-12-17)21(2)3/h11-16H,4-10H2,1-3H3,(H,20,22).
What are the key properties of 4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide?
4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide has a molecular weight of 302.50 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 19206977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).