N-butyl-2-cyclohexyl-2-(N-[3-(2-methylphenyl)oxiran-2-yl]anilino)acetamide

C27H36N2O2 — CID 145207815

IUPACN-butyl-2-cyclohexyl-2-(N-[3-(2-methylphenyl)oxiran-2-yl]anilino)acetamide
SMILESCCCCNC(=O)C(C1CCCCC1)N(c1ccccc1)C1OC1c1ccccc1C
InChIInChI=1S/C27H36N2O2/c1-3-4-19-28-26(30)24(21-14-7-5-8-15-21)29(22-16-9-6-10-17-22)27-25(31-27)23-18-12-11-13-20(23)2/h6,9-13,16-18,21,24-25,27H,3-5,7-8,14-15,19H2,1-2H3,(H,28,30)
InChIKeyVAXPEWQKQDOQNM-UHFFFAOYSA-N
MW420.60 g/mol
LogP5.76
Rot. Bonds9

About N-butyl-2-cyclohexyl-2-(N-[3-(2-methylphenyl)oxiran-2-yl]anilino)acetamide

N-butyl-2-cyclohexyl-2-(N-[3-(2-methylphenyl)oxiran-2-yl]anilino)acetamide (PubChem CID 145207815) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is N-butyl-2-cyclohexyl-2-(N-[3-(2-methylphenyl)oxiran-2-yl]anilino)acetamide.

Molecular Properties

Compound NameN-butyl-2-cyclohexyl-2-(N-[3-(2-methylphenyl)oxiran-2-yl]anilino)acetamide
PubChem CID145207815
Molecular FormulaC27H36N2O2
Molecular Weight420.60 g/mol
Exact Mass420.28
IUPAC NameN-butyl-2-cyclohexyl-2-(N-[3-(2-methylphenyl)oxiran-2-yl]anilino)acetamide
SMILESCCCCNC(=O)C(C1CCCCC1)N(c1ccccc1)C1OC1c1ccccc1C
InChIInChI=1S/C27H36N2O2/c1-3-4-19-28-26(30)24(21-14-7-5-8-15-21)29(22-16-9-6-10-17-22)27-25(31-27)23-18-12-11-13-20(23)2/h6,9-13,16-18,21,24-25,27H,3-5,7-8,14-15,19H2,1-2H3,(H,28,30)
InChIKeyVAXPEWQKQDOQNM-UHFFFAOYSA-N
XLogP5.76
TPSA44.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-butyl-2-cyclohexyl-2-(N-[3-(2-methylphenyl)oxiran-2-yl]anilino)acetamide 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

N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N,2-diphenylbenzamide
CID 140923009
N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methyl-N-prop-2-ynylbenzamide;ethane
CID 145207801
N-butyl-2-cyclopentylpropanamide
CID 173178636
N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide
CID 155088072
3-(3-cyclopentylpropyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 55570048
N-[(2S)-1-(cyclohexylamino)-1-oxohexan-2-yl]-N-phenylfuran-2-carboxamide
CID 138983886
N-butyl-2-hydroxy-2-phenylacetamide
CID 15353717
N-[(1S)-2-(butylamino)-1-cyclohexyl-2-oxoethyl]-3-(2,6-dimethoxyphenyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide
CID 118561203
N-dodecyl-2,2-diphenylacetamide
CID 5143289
3-butyl-1-methyl-1-(2-methylphenyl)urea
CID 116655391
1-(3-aminopropyl)-3-butyl-1-phenylurea
CID 43135983
N-cyclohexyl-N-[2-(cyclohexylamino)-1-cyclopentyl-2-oxoethyl]-2-methylbenzamide
CID 145207901

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-cyclohexyl-2-(N-[3-(2-methylphenyl)oxiran-2-yl]anilino)acetamide?
The IUPAC name of N-butyl-2-cyclohexyl-2-(N-[3-(2-methylphenyl)oxiran-2-yl]anilino)acetamide (CID 145207815) is N-butyl-2-cyclohexyl-2-(N-[3-(2-methylphenyl)oxiran-2-yl]anilino)acetamide.
What is the SMILES notation for N-butyl-2-cyclohexyl-2-(N-[3-(2-methylphenyl)oxiran-2-yl]anilino)acetamide?
The canonical SMILES for N-butyl-2-cyclohexyl-2-(N-[3-(2-methylphenyl)oxiran-2-yl]anilino)acetamide is CCCCNC(=O)C(C1CCCCC1)N(c1ccccc1)C1OC1c1ccccc1C.
What is the InChIKey of N-butyl-2-cyclohexyl-2-(N-[3-(2-methylphenyl)oxiran-2-yl]anilino)acetamide?
The InChIKey is VAXPEWQKQDOQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O2/c1-3-4-19-28-26(30)24(21-14-7-5-8-15-21)29(22-16-9-6-10-17-22)27-25(31-27)23-18-12-11-13-20(23)2/h6,9-13,16-18,21,24-25,27H,3-5,7-8,14-15,19H2,1-2H3,(H,28,30).
What are the key properties of N-butyl-2-cyclohexyl-2-(N-[3-(2-methylphenyl)oxiran-2-yl]anilino)acetamide?
N-butyl-2-cyclohexyl-2-(N-[3-(2-methylphenyl)oxiran-2-yl]anilino)acetamide has a molecular weight of 420.60 g/mol, XLogP of 5.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-cyclohexyl-2-(N-[3-(2-methylphenyl)oxiran-2-yl]anilino)acetamide is sourced from PubChem (CID 145207815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).