3-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide

C23H38N4O2 — CID 86962728

IUPAC3-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCCc1ccc(C(CNC(=O)NC2CCCC(C(=O)NC(C)C)C2)N(C)C)cc1
InChIInChI=1S/C23H38N4O2/c1-6-17-10-12-18(13-11-17)21(27(4)5)15-24-23(29)26-20-9-7-8-19(14-20)22(28)25-16(2)3/h10-13,16,19-21H,6-9,14-15H2,1-5H3,(H,25,28)(H2,24,26,29)
InChIKeyCVRWTDRVPOKKAI-UHFFFAOYSA-N
MW402.58 g/mol
LogP3.23
Rot. Bonds8

About 3-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide

3-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 86962728) has the molecular formula C23H38N4O2 and a molecular weight of 402.58 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID86962728
Molecular FormulaC23H38N4O2
Molecular Weight402.58 g/mol
Exact Mass402.30
IUPAC Name3-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCCc1ccc(C(CNC(=O)NC2CCCC(C(=O)NC(C)C)C2)N(C)C)cc1
InChIInChI=1S/C23H38N4O2/c1-6-17-10-12-18(13-11-17)21(27(4)5)15-24-23(29)26-20-9-7-8-19(14-20)22(28)25-16(2)3/h10-13,16,19-21H,6-9,14-15H2,1-5H3,(H,25,28)(H2,24,26,29)
InChIKeyCVRWTDRVPOKKAI-UHFFFAOYSA-N
XLogP3.23
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide 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-(dimethylamino)-2-(4-ethylphenyl)ethyl]cyclohexanecarboxamide
CID 46529103
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea;hydrochloride
CID 170913337
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504017
3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 86962709
1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 47128258
(2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride
CID 119831113
3-(cyclohexylcarbamoylamino)-N-[(1R)-1-(4-ethylphenyl)ethyl]propanamide
CID 25469560
3-(cyclohexylcarbamoylamino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 25469562
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55575997
1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 112501881
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828747
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide;dihydrochloride
CID 119831119

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 3-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide (CID 86962728) is 3-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 3-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide is CCc1ccc(C(CNC(=O)NC2CCCC(C(=O)NC(C)C)C2)N(C)C)cc1.
What is the InChIKey of 3-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is CVRWTDRVPOKKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O2/c1-6-17-10-12-18(13-11-17)21(27(4)5)15-24-23(29)26-20-9-7-8-19(14-20)22(28)25-16(2)3/h10-13,16,19-21H,6-9,14-15H2,1-5H3,(H,25,28)(H2,24,26,29).
What are the key properties of 3-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide?
3-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 402.58 g/mol, XLogP of 3.23, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 86962728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).