benzene;N-cyclohexyl-N-(cyclopropylmethyl)-3-hydroxypropanamide;ethane

C21H35NO2 — CID 142880292

IUPACbenzene;N-cyclohexyl-N-(cyclopropylmethyl)-3-hydroxypropanamide;ethane
SMILESCC.O=C(CCO)N(CC1CC1)C1CCCCC1.c1ccccc1
InChIInChI=1S/C13H23NO2.C6H6.C2H6/c15-9-8-13(16)14(10-11-6-7-11)12-4-2-1-3-5-12;1-2-4-6-5-3-1;1-2/h11-12,15H,1-10H2;1-6H;1-2H3
InChIKeyZAGVCQQVZUTMLK-UHFFFAOYSA-N
MW333.52 g/mol
LogP4.65
Rot. Bonds5

About benzene;N-cyclohexyl-N-(cyclopropylmethyl)-3-hydroxypropanamide;ethane

benzene;N-cyclohexyl-N-(cyclopropylmethyl)-3-hydroxypropanamide;ethane (PubChem CID 142880292) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol. Its IUPAC name is benzene;N-cyclohexyl-N-(cyclopropylmethyl)-3-hydroxypropanamide;ethane.

Molecular Properties

Compound Namebenzene;N-cyclohexyl-N-(cyclopropylmethyl)-3-hydroxypropanamide;ethane
PubChem CID142880292
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC Namebenzene;N-cyclohexyl-N-(cyclopropylmethyl)-3-hydroxypropanamide;ethane
SMILESCC.O=C(CCO)N(CC1CC1)C1CCCCC1.c1ccccc1
InChIInChI=1S/C13H23NO2.C6H6.C2H6/c15-9-8-13(16)14(10-11-6-7-11)12-4-2-1-3-5-12;1-2-4-6-5-3-1;1-2/h11-12,15H,1-10H2;1-6H;1-2H3
InChIKeyZAGVCQQVZUTMLK-UHFFFAOYSA-N
XLogP4.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze benzene;N-cyclohexyl-N-(cyclopropylmethyl)-3-hydroxypropanamide;ethane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzene;N-cyclohexyl-N-(cyclopropylmethyl)-3-hydroxypropanamide;ethane?
The IUPAC name of benzene;N-cyclohexyl-N-(cyclopropylmethyl)-3-hydroxypropanamide;ethane (CID 142880292) is benzene;N-cyclohexyl-N-(cyclopropylmethyl)-3-hydroxypropanamide;ethane.
What is the SMILES notation for benzene;N-cyclohexyl-N-(cyclopropylmethyl)-3-hydroxypropanamide;ethane?
The canonical SMILES for benzene;N-cyclohexyl-N-(cyclopropylmethyl)-3-hydroxypropanamide;ethane is CC.O=C(CCO)N(CC1CC1)C1CCCCC1.c1ccccc1.
What is the InChIKey of benzene;N-cyclohexyl-N-(cyclopropylmethyl)-3-hydroxypropanamide;ethane?
The InChIKey is ZAGVCQQVZUTMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2.C6H6.C2H6/c15-9-8-13(16)14(10-11-6-7-11)12-4-2-1-3-5-12;1-2-4-6-5-3-1;1-2/h11-12,15H,1-10H2;1-6H;1-2H3.
What are the key properties of benzene;N-cyclohexyl-N-(cyclopropylmethyl)-3-hydroxypropanamide;ethane?
benzene;N-cyclohexyl-N-(cyclopropylmethyl)-3-hydroxypropanamide;ethane has a molecular weight of 333.52 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-cyclohexyl-N-(cyclopropylmethyl)-3-hydroxypropanamide;ethane is sourced from PubChem (CID 142880292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).