5-amino-N-(cyclohexylmethyl)-2-methyl-N-prop-2-enylbenzamide

C18H26N2O — CID 120632735

IUPAC5-amino-N-(cyclohexylmethyl)-2-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(CC1CCCCC1)C(=O)c1cc(N)ccc1C
InChIInChI=1S/C18H26N2O/c1-3-11-20(13-15-7-5-4-6-8-15)18(21)17-12-16(19)10-9-14(17)2/h3,9-10,12,15H,1,4-8,11,13,19H2,2H3
InChIKeyBEOVOYYCMUYWKM-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.79
Rot. Bonds5

About 5-amino-N-(cyclohexylmethyl)-2-methyl-N-prop-2-enylbenzamide

5-amino-N-(cyclohexylmethyl)-2-methyl-N-prop-2-enylbenzamide (PubChem CID 120632735) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 5-amino-N-(cyclohexylmethyl)-2-methyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name5-amino-N-(cyclohexylmethyl)-2-methyl-N-prop-2-enylbenzamide
PubChem CID120632735
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name5-amino-N-(cyclohexylmethyl)-2-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(CC1CCCCC1)C(=O)c1cc(N)ccc1C
InChIInChI=1S/C18H26N2O/c1-3-11-20(13-15-7-5-4-6-8-15)18(21)17-12-16(19)10-9-14(17)2/h3,9-10,12,15H,1,4-8,11,13,19H2,2H3
InChIKeyBEOVOYYCMUYWKM-UHFFFAOYSA-N
XLogP3.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-amino-N-(cyclohexylmethyl)-2-methyl-N-prop-2-enylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide
CID 61291356
5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
CID 63632081
5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide
CID 120629879
5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120624156
5-amino-N-(cyclopropylmethyl)-2-methyl-N-(3,3,3-trifluoropropyl)benzamide;hydrochloride
CID 120638824
5-amino-N-cyclooctyl-N,2-dimethylbenzamide
CID 120629477
5-amino-N-cyclopentyl-N,2-dimethylbenzamide
CID 61291157
5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 120643725
5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 61289864
5-amino-N,2-dimethyl-N-(2-methylcyclohexyl)benzamide
CID 61291362
3-N-(cyclohexylmethyl)-3-N,4-dimethylbenzene-1,3-diamine
CID 62589993
5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide
CID 107396879

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(cyclohexylmethyl)-2-methyl-N-prop-2-enylbenzamide?
The IUPAC name of 5-amino-N-(cyclohexylmethyl)-2-methyl-N-prop-2-enylbenzamide (CID 120632735) is 5-amino-N-(cyclohexylmethyl)-2-methyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 5-amino-N-(cyclohexylmethyl)-2-methyl-N-prop-2-enylbenzamide?
The canonical SMILES for 5-amino-N-(cyclohexylmethyl)-2-methyl-N-prop-2-enylbenzamide is C=CCN(CC1CCCCC1)C(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-N-(cyclohexylmethyl)-2-methyl-N-prop-2-enylbenzamide?
The InChIKey is BEOVOYYCMUYWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-11-20(13-15-7-5-4-6-8-15)18(21)17-12-16(19)10-9-14(17)2/h3,9-10,12,15H,1,4-8,11,13,19H2,2H3.
What are the key properties of 5-amino-N-(cyclohexylmethyl)-2-methyl-N-prop-2-enylbenzamide?
5-amino-N-(cyclohexylmethyl)-2-methyl-N-prop-2-enylbenzamide has a molecular weight of 286.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(cyclohexylmethyl)-2-methyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 120632735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).