2-[cyclohexyl(2-hydroxyethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide

C21H35N3O2 — CID 78825041

IUPAC2-[cyclohexyl(2-hydroxyethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
SMILESCCN(c1ccc(NC(=O)CN(CCO)C2CCCCC2)cc1)C(C)C
InChIInChI=1S/C21H35N3O2/c1-4-24(17(2)3)20-12-10-18(11-13-20)22-21(26)16-23(14-15-25)19-8-6-5-7-9-19/h10-13,17,19,25H,4-9,14-16H2,1-3H3,(H,22,26)
InChIKeyUWGXVPCJXSLQJK-UHFFFAOYSA-N
MW361.53 g/mol
LogP3.49
Rot. Bonds9

About 2-[cyclohexyl(2-hydroxyethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide

2-[cyclohexyl(2-hydroxyethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide (PubChem CID 78825041) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is 2-[cyclohexyl(2-hydroxyethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(2-hydroxyethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
PubChem CID78825041
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC Name2-[cyclohexyl(2-hydroxyethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
SMILESCCN(c1ccc(NC(=O)CN(CCO)C2CCCCC2)cc1)C(C)C
InChIInChI=1S/C21H35N3O2/c1-4-24(17(2)3)20-12-10-18(11-13-20)22-21(26)16-23(14-15-25)19-8-6-5-7-9-19/h10-13,17,19,25H,4-9,14-16H2,1-3H3,(H,22,26)
InChIKeyUWGXVPCJXSLQJK-UHFFFAOYSA-N
XLogP3.49
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[cyclohexyl(2-hydroxyethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]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-(4-bromophenyl)-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 60911559
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 60911412
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 60509867
2-[cyclohexyl(2-hydroxyethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 110881770
N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide
CID 78825056
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
CID 60641040
1-cyclohexyl-3-[4-[ethyl(propan-2-yl)amino]phenyl]thiourea
CID 7941710
4-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 60510107
2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2104267
N-(3-chloro-4-methylphenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102677060
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
2-[cyclohexyl(2-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide
CID 110923589

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?
The IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide (CID 78825041) is 2-[cyclohexyl(2-hydroxyethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-[cyclohexyl(2-hydroxyethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-[cyclohexyl(2-hydroxyethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide is CCN(c1ccc(NC(=O)CN(CCO)C2CCCCC2)cc1)C(C)C.
What is the InChIKey of 2-[cyclohexyl(2-hydroxyethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?
The InChIKey is UWGXVPCJXSLQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-4-24(17(2)3)20-12-10-18(11-13-20)22-21(26)16-23(14-15-25)19-8-6-5-7-9-19/h10-13,17,19,25H,4-9,14-16H2,1-3H3,(H,22,26).
What are the key properties of 2-[cyclohexyl(2-hydroxyethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?
2-[cyclohexyl(2-hydroxyethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide has a molecular weight of 361.53 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(2-hydroxyethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 78825041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).