1-[1-(3-chlorophenyl)ethyl]-3-[(4-ethoxy-3-methoxyphenyl)methyl]urea

C19H23ClN2O3 — CID 55683902

IUPAC1-[1-(3-chlorophenyl)ethyl]-3-[(4-ethoxy-3-methoxyphenyl)methyl]urea
SMILESCCOc1ccc(CNC(=O)NC(C)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H23ClN2O3/c1-4-25-17-9-8-14(10-18(17)24-3)12-21-19(23)22-13(2)15-6-5-7-16(20)11-15/h5-11,13H,4,12H2,1-3H3,(H2,21,22,23)
InChIKeyHGAMSDMGEXCZKM-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.31
Rot. Bonds7

About 1-[1-(3-chlorophenyl)ethyl]-3-[(4-ethoxy-3-methoxyphenyl)methyl]urea

1-[1-(3-chlorophenyl)ethyl]-3-[(4-ethoxy-3-methoxyphenyl)methyl]urea (PubChem CID 55683902) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethyl]-3-[(4-ethoxy-3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethyl]-3-[(4-ethoxy-3-methoxyphenyl)methyl]urea
PubChem CID55683902
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name1-[1-(3-chlorophenyl)ethyl]-3-[(4-ethoxy-3-methoxyphenyl)methyl]urea
SMILESCCOc1ccc(CNC(=O)NC(C)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H23ClN2O3/c1-4-25-17-9-8-14(10-18(17)24-3)12-21-19(23)22-13(2)15-6-5-7-16(20)11-15/h5-11,13H,4,12H2,1-3H3,(H2,21,22,23)
InChIKeyHGAMSDMGEXCZKM-UHFFFAOYSA-N
XLogP4.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3-chlorophenyl)ethyl]-3-[(4-ethoxy-3-methoxyphenyl)methyl]urea with MolForge

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Related Compounds

1-benzyl-3-[(1S)-1-(3-chlorophenyl)ethyl]urea
CID 27533669
1-[1-(3,4-difluorophenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 51274117
4-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]-N-methylbenzamide
CID 134006337
1-[1-(4-tert-butylphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 60541277
1-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]urea
CID 52507874
1-(3-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 55677645
1-[2-(3-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 112970763
(2R)-2-chloro-N-[2-[[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]carbamoylamino]ethyl]propanamide
CID 124885683
(2S)-2-chloro-N-[2-[[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]carbamoylamino]ethyl]propanamide
CID 124885687
N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42989371
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7253682
N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51163512

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-3-[(4-ethoxy-3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-3-[(4-ethoxy-3-methoxyphenyl)methyl]urea (CID 55683902) is 1-[1-(3-chlorophenyl)ethyl]-3-[(4-ethoxy-3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethyl]-3-[(4-ethoxy-3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethyl]-3-[(4-ethoxy-3-methoxyphenyl)methyl]urea is CCOc1ccc(CNC(=O)NC(C)c2cccc(Cl)c2)cc1OC.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethyl]-3-[(4-ethoxy-3-methoxyphenyl)methyl]urea?
The InChIKey is HGAMSDMGEXCZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-4-25-17-9-8-14(10-18(17)24-3)12-21-19(23)22-13(2)15-6-5-7-16(20)11-15/h5-11,13H,4,12H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[1-(3-chlorophenyl)ethyl]-3-[(4-ethoxy-3-methoxyphenyl)methyl]urea?
1-[1-(3-chlorophenyl)ethyl]-3-[(4-ethoxy-3-methoxyphenyl)methyl]urea has a molecular weight of 362.86 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethyl]-3-[(4-ethoxy-3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 55683902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).