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

C19H30N2O — CID 19206977

IUPAC4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2ccc(N(C)C)cc2)CC1
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
MW302.46 g/mol
LogP4.69
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 302.46 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 Weight302.46 g/mol
Exact Mass302.24
IUPAC Name4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2ccc(N(C)C)cc2)CC1
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
XLogP4.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.69
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

4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 64792837
4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 19206890
4-[(4-butylcyclohexanecarbonyl)amino]benzamide
CID 8884677
4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide
CID 82259069
N-[4-(2-aminobutyl)phenyl]-4-butylcyclohexane-1-carboxamide
CID 82259804
N-[4-(2-bromo-3-methylbutyl)phenyl]-4-butylcyclohexane-1-carboxamide
CID 82259475
4-N-[4-(dimethylamino)phenyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147341
4-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide
CID 108737739
N-[4-(dimethylamino)phenyl]-4-oxocyclohexane-1-carboxamide
CID 112520495
N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide
CID 19206974
4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 109150257
4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
CID 60847830

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(C(=O)Nc2ccc(N(C)C)cc2)CC1.
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 302.46 g/mol, XLogP of 4.69, 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).