1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea

C19H24N2O2 — CID 71889703

IUPAC1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea
SMILESCCN(Cc1ccc(OC)cc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-3-21(15-17-9-11-18(23-2)12-10-17)19(22)20-14-13-16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3,(H,20,22)
InChIKeyDWWQDIRWQOQKRP-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.47
Rot. Bonds7

About 1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea

1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea (PubChem CID 71889703) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea
PubChem CID71889703
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea
SMILESCCN(Cc1ccc(OC)cc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-3-21(15-17-9-11-18(23-2)12-10-17)19(22)20-14-13-16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3,(H,20,22)
InChIKeyDWWQDIRWQOQKRP-UHFFFAOYSA-N
XLogP3.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891107
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea
CID 108901911
1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891110
1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea
CID 108887045
1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea
CID 108902120
1-benzyl-1-(2-hydroxyethyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 18230960
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-4-[4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 10629682
2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 133237038
3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid
CID 107843104
1-benzyl-1-(2-methoxyethyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 18274497
2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113150436
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213632

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea (CID 71889703) is 1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea is CCN(Cc1ccc(OC)cc1)C(=O)NCCc1ccccc1.
What is the InChIKey of 1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea?
The InChIKey is DWWQDIRWQOQKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-21(15-17-9-11-18(23-2)12-10-17)19(22)20-14-13-16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3,(H,20,22).
What are the key properties of 1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea?
1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea has a molecular weight of 312.41 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 71889703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).