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

C20H27N3O — CID 24528872

IUPAC1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-methylphenyl)urea
SMILESCCc1ccc(C(CNC(=O)Nc2cccc(C)c2)N(C)C)cc1
InChIInChI=1S/C20H27N3O/c1-5-16-9-11-17(12-10-16)19(23(3)4)14-21-20(24)22-18-8-6-7-15(2)13-18/h6-13,19H,5,14H2,1-4H3,(H2,21,22,24)
InChIKeyIMZDYDZMAINJEU-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.98
Rot. Bonds6

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

1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-methylphenyl)urea (PubChem CID 24528872) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-methylphenyl)urea
PubChem CID24528872
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-methylphenyl)urea
SMILESCCc1ccc(C(CNC(=O)Nc2cccc(C)c2)N(C)C)cc1
InChIInChI=1S/C20H27N3O/c1-5-16-9-11-17(12-10-16)19(23(3)4)14-21-20(24)22-18-8-6-7-15(2)13-18/h6-13,19H,5,14H2,1-4H3,(H2,21,22,24)
InChIKeyIMZDYDZMAINJEU-UHFFFAOYSA-N
XLogP3.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-pyridin-3-ylurea
CID 18101908
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738090
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3-(3-methylphenyl)urea
CID 90558199
N-[1-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 112764524
1-(3-ethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 51944765
1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916197
1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 27868172
1-(2,2-dimethoxyethyl)-3-(3-methylphenyl)urea
CID 4524183
(2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride
CID 119831113
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 46422034
2-[[(3-methylphenyl)carbamoylamino]methyl]pentanoic acid
CID 65217917
5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide
CID 46578078

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-methylphenyl)urea (CID 24528872) is 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-methylphenyl)urea is CCc1ccc(C(CNC(=O)Nc2cccc(C)c2)N(C)C)cc1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-methylphenyl)urea?
The InChIKey is IMZDYDZMAINJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-5-16-9-11-17(12-10-16)19(23(3)4)14-21-20(24)22-18-8-6-7-15(2)13-18/h6-13,19H,5,14H2,1-4H3,(H2,21,22,24).
What are the key properties of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-methylphenyl)urea?
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-methylphenyl)urea has a molecular weight of 325.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 24528872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).