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

C14H20N2O3 — CID 130441818

IUPAC1-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-(3-oxopropyl)urea
SMILESCNC(=O)N(CCC=O)CCc1ccccc1OC
InChIInChI=1S/C14H20N2O3/c1-15-14(18)16(9-5-11-17)10-8-12-6-3-4-7-13(12)19-2/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,15,18)
InChIKeyGDIBOJYRSSMLIM-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.47
Rot. Bonds7

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

1-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-(3-oxopropyl)urea (PubChem CID 130441818) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-(3-oxopropyl)urea.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-(3-oxopropyl)urea
PubChem CID130441818
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-(3-oxopropyl)urea
SMILESCNC(=O)N(CCC=O)CCc1ccccc1OC
InChIInChI=1S/C14H20N2O3/c1-15-14(18)16(9-5-11-17)10-8-12-6-3-4-7-13(12)19-2/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,15,18)
InChIKeyGDIBOJYRSSMLIM-UHFFFAOYSA-N
XLogP1.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170477
1-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylformamide
CID 115172715
(E)-4-[2-(2-methoxyphenyl)ethyl-methylamino]but-2-enoic acid
CID 115237375
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide
CID 113055809
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide
CID 113055840
N'-[2-(dimethylamino)ethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996174
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenylacetamide
CID 113055835
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 113164550
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-cyclopropylacetamide
CID 113164478
N-[2-(dimethylsulfamoylamino)ethyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113055867
N-[2-(2-methoxyphenyl)ethyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119776514
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 113164552

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-(3-oxopropyl)urea?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-(3-oxopropyl)urea (CID 130441818) is 1-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-(3-oxopropyl)urea.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-(3-oxopropyl)urea?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-(3-oxopropyl)urea is CNC(=O)N(CCC=O)CCc1ccccc1OC.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-(3-oxopropyl)urea?
The InChIKey is GDIBOJYRSSMLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15-14(18)16(9-5-11-17)10-8-12-6-3-4-7-13(12)19-2/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,15,18).
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-(3-oxopropyl)urea?
1-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-(3-oxopropyl)urea has a molecular weight of 264.32 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-(3-oxopropyl)urea is sourced from PubChem (CID 130441818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).