1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea;hydrochloride

C19H32ClN3O2 — CID 170913337

IUPAC1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea;hydrochloride
SMILESCCc1ccc(C(CNC(=O)NC[C@@H]2CCC[C@@H]2O)N(C)C)cc1.Cl
InChIInChI=1S/C19H31N3O2.ClH/c1-4-14-8-10-15(11-9-14)17(22(2)3)13-21-19(24)20-12-16-6-5-7-18(16)23;/h8-11,16-18,23H,4-7,12-13H2,1-3H3,(H2,20,21,24);1H/t16-,17?,18-;/m0./s1
InChIKeyWDUZLKXRRYNFNN-AQNKJZRKSA-N
MW369.94 g/mol
LogP2.73
Rot. Bonds7

About 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea;hydrochloride

1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea;hydrochloride (PubChem CID 170913337) has the molecular formula C19H32ClN3O2 and a molecular weight of 369.94 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea;hydrochloride.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea;hydrochloride
PubChem CID170913337
Molecular FormulaC19H32ClN3O2
Molecular Weight369.94 g/mol
Exact Mass369.22
IUPAC Name1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea;hydrochloride
SMILESCCc1ccc(C(CNC(=O)NC[C@@H]2CCC[C@@H]2O)N(C)C)cc1.Cl
InChIInChI=1S/C19H31N3O2.ClH/c1-4-14-8-10-15(11-9-14)17(22(2)3)13-21-19(24)20-12-16-6-5-7-18(16)23;/h8-11,16-18,23H,4-7,12-13H2,1-3H3,(H2,20,21,24);1H/t16-,17?,18-;/m0./s1
InChIKeyWDUZLKXRRYNFNN-AQNKJZRKSA-N
XLogP2.73
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.94
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea;hydrochloride 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

1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504017
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]cyclohexanecarboxamide
CID 46529103
3-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 86962728
2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 64928037
(2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride
CID 119831113
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide;dihydrochloride
CID 119831119
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]adamantane-1-carboxamide
CID 39951386
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 134061146
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide
CID 98598979
1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
CID 94028278
2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797001
1-[(2-hydroxycyclopentyl)methyl]-3-(2-thiophen-2-ylpropyl)urea
CID 71868184

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea;hydrochloride?
The IUPAC name of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea;hydrochloride (CID 170913337) is 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea;hydrochloride.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea;hydrochloride?
The canonical SMILES for 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea;hydrochloride is CCc1ccc(C(CNC(=O)NC[C@@H]2CCC[C@@H]2O)N(C)C)cc1.Cl.
What is the InChIKey of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea;hydrochloride?
The InChIKey is WDUZLKXRRYNFNN-AQNKJZRKSA-N. The full InChI is InChI=1S/C19H31N3O2.ClH/c1-4-14-8-10-15(11-9-14)17(22(2)3)13-21-19(24)20-12-16-6-5-7-18(16)23;/h8-11,16-18,23H,4-7,12-13H2,1-3H3,(H2,20,21,24);1H/t16-,17?,18-;/m0./s1.
What are the key properties of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea;hydrochloride?
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea;hydrochloride has a molecular weight of 369.94 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea;hydrochloride is sourced from PubChem (CID 170913337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).