1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea

C20H33N3O2 — CID 111504017

IUPAC1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCCc1ccc(C(CNC(=O)NCC2CCCC(O)C2)N(C)C)cc1
InChIInChI=1S/C20H33N3O2/c1-4-15-8-10-17(11-9-15)19(23(2)3)14-22-20(25)21-13-16-6-5-7-18(24)12-16/h8-11,16,18-19,24H,4-7,12-14H2,1-3H3,(H2,21,22,25)
InChIKeyWWQLMEGWZVPNHF-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.70
Rot. Bonds7

About 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea

1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea (PubChem CID 111504017) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
PubChem CID111504017
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCCc1ccc(C(CNC(=O)NCC2CCCC(O)C2)N(C)C)cc1
InChIInChI=1S/C20H33N3O2/c1-4-15-8-10-17(11-9-15)19(23(2)3)14-22-20(25)21-13-16-6-5-7-18(24)12-16/h8-11,16,18-19,24H,4-7,12-14H2,1-3H3,(H2,21,22,25)
InChIKeyWWQLMEGWZVPNHF-UHFFFAOYSA-N
XLogP2.70
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea;hydrochloride
CID 170913337
1-[(3-hydroxycyclohexyl)methyl]-3-(2-phenylbutyl)urea
CID 111504109
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504156
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]cyclohexanecarboxamide
CID 46529103
3-[[1-(4-ethylphenyl)propylamino]methyl]cyclohexan-1-ol
CID 103785864
3-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 86962728
1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea
CID 108902838
1-[(5-ethylthiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504805
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-(cyclobutylmethyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine
CID 111029516
4-[[ethyl(propan-2-yl)amino]methyl]-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 111459679

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea (CID 111504017) is 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea is CCc1ccc(C(CNC(=O)NCC2CCCC(O)C2)N(C)C)cc1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The InChIKey is WWQLMEGWZVPNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-4-15-8-10-17(11-9-15)19(23(2)3)14-22-20(25)21-13-16-6-5-7-18(24)12-16/h8-11,16,18-19,24H,4-7,12-14H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea has a molecular weight of 347.50 g/mol, XLogP of 2.70, 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-[(3-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 111504017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).