1-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]-3-propylurea

C15H23ClN2O2 — CID 110775837

IUPAC1-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1cc(Cl)c(OCC)cc1C
InChIInChI=1S/C15H23ClN2O2/c1-4-7-17-15(19)18-8-6-12-10-13(16)14(20-5-2)9-11(12)3/h9-10H,4-8H2,1-3H3,(H2,17,18,19)
InChIKeyMCHBWDMTLCKNBJ-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.30
Rot. Bonds7

About 1-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]-3-propylurea

1-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]-3-propylurea (PubChem CID 110775837) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]-3-propylurea
PubChem CID110775837
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1cc(Cl)c(OCC)cc1C
InChIInChI=1S/C15H23ClN2O2/c1-4-7-17-15(19)18-8-6-12-10-13(16)14(20-5-2)9-11(12)3/h9-10H,4-8H2,1-3H3,(H2,17,18,19)
InChIKeyMCHBWDMTLCKNBJ-UHFFFAOYSA-N
XLogP3.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]propanamide
CID 110788828
N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide
CID 110781893
N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]propan-1-amine
CID 95455460
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide
CID 110788808
1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea
CID 110775836
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
1-[2-(2,4-dimethylphenyl)ethyl]-3-propylurea
CID 110775694
3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine
CID 95447725
2-chloro-1-(5-chloro-4-ethoxy-2-methylphenyl)ethanone
CID 82295620
2-(4-ethoxy-2,5-dimethylphenyl)-2-oxo-N-propylacetamide
CID 94275424
1-(3-chloro-4-methylphenyl)-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 5221281
5-chloro-4-ethoxy-2-methylbenzoic acid
CID 82284593

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]-3-propylurea?
The IUPAC name of 1-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]-3-propylurea (CID 110775837) is 1-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]-3-propylurea.
What is the SMILES notation for 1-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]-3-propylurea?
The canonical SMILES for 1-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]-3-propylurea is CCCNC(=O)NCCc1cc(Cl)c(OCC)cc1C.
What is the InChIKey of 1-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]-3-propylurea?
The InChIKey is MCHBWDMTLCKNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-4-7-17-15(19)18-8-6-12-10-13(16)14(20-5-2)9-11(12)3/h9-10H,4-8H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]-3-propylurea?
1-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]-3-propylurea has a molecular weight of 298.81 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]-3-propylurea is sourced from PubChem (CID 110775837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).