1-[1-(3,4-diethoxyphenyl)ethyl]-3-phenylurea

C19H24N2O3 — CID 4876676

IUPAC1-[1-(3,4-diethoxyphenyl)ethyl]-3-phenylurea
SMILESCCOc1ccc(C(C)NC(=O)Nc2ccccc2)cc1OCC
InChIInChI=1S/C19H24N2O3/c1-4-23-17-12-11-15(13-18(17)24-5-2)14(3)20-19(22)21-16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H2,20,21,22)
InChIKeyRWVJYUXCXSTLLS-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.37
Rot. Bonds7

About 1-[1-(3,4-diethoxyphenyl)ethyl]-3-phenylurea

1-[1-(3,4-diethoxyphenyl)ethyl]-3-phenylurea (PubChem CID 4876676) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[1-(3,4-diethoxyphenyl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-(3,4-diethoxyphenyl)ethyl]-3-phenylurea
PubChem CID4876676
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[1-(3,4-diethoxyphenyl)ethyl]-3-phenylurea
SMILESCCOc1ccc(C(C)NC(=O)Nc2ccccc2)cc1OCC
InChIInChI=1S/C19H24N2O3/c1-4-23-17-12-11-15(13-18(17)24-5-2)14(3)20-19(22)21-16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H2,20,21,22)
InChIKeyRWVJYUXCXSTLLS-UHFFFAOYSA-N
XLogP4.37
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dimethoxy-N-(4-methoxyphenyl)benzylamine
CID 784220
4-({[4-(Benzyloxy)-3-methoxyphenyl]methyl}amino)benzene-1-carboximidamide
CID 23646462
1-(2,4-Difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 883790
1-[2-(3,4-Diethoxyphenyl)ethyl]-3-(2-methylphenyl)urea
CID 934870
1-(4-Chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 727786
4-{[(3,4-Diethoxyphenyl)methyl]amino}benzene-1-carboximidamide
CID 23646461
N-(1,3-benzodioxol-5-ylmethyl)-N'-(3,4-dimethylphenyl)urea
CID 6466120
1-[2-(4-Methoxy-phenyl)-1-methyl-ethyl]-1-methyl-3-(4-phenoxy-phenyl)-urea
CID 11025578
N-{(acetylamino)[3-methoxy-4-(phenylmethoxy)phenyl]methyl}acetamide
CID 693353
N-(4-ethoxybenzyl)-N'-phenylurea
CID 757706
1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-ethoxyphenyl)thiourea
CID 948138
1-[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2,3-dimethylphenyl)thiourea
CID 2508573

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-diethoxyphenyl)ethyl]-3-phenylurea?
The IUPAC name of 1-[1-(3,4-diethoxyphenyl)ethyl]-3-phenylurea (CID 4876676) is 1-[1-(3,4-diethoxyphenyl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[1-(3,4-diethoxyphenyl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[1-(3,4-diethoxyphenyl)ethyl]-3-phenylurea is CCOc1ccc(C(C)NC(=O)Nc2ccccc2)cc1OCC.
What is the InChIKey of 1-[1-(3,4-diethoxyphenyl)ethyl]-3-phenylurea?
The InChIKey is RWVJYUXCXSTLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-4-23-17-12-11-15(13-18(17)24-5-2)14(3)20-19(22)21-16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[1-(3,4-diethoxyphenyl)ethyl]-3-phenylurea?
1-[1-(3,4-diethoxyphenyl)ethyl]-3-phenylurea has a molecular weight of 328.41 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-diethoxyphenyl)ethyl]-3-phenylurea is sourced from PubChem (CID 4876676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).