1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea

C18H23N3O2 — CID 60547411

IUPAC1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea
SMILESCOc1ccc(CCCNC(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C18H23N3O2/c1-23-17-9-7-15(8-10-17)5-4-13-20-18(22)21-14-11-16-6-2-3-12-19-16/h2-3,6-10,12H,4-5,11,13-14H2,1H3,(H2,20,21,22)
InChIKeyLDNMGIRVYFQEBJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.56
Rot. Bonds8

About 1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea

1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea (PubChem CID 60547411) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea
PubChem CID60547411
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea
SMILESCOc1ccc(CCCNC(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C18H23N3O2/c1-23-17-9-7-15(8-10-17)5-4-13-20-18(22)21-14-11-16-6-2-3-12-19-16/h2-3,6-10,12H,4-5,11,13-14H2,1H3,(H2,20,21,22)
InChIKeyLDNMGIRVYFQEBJ-UHFFFAOYSA-N
XLogP2.56
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea
CID 95178027
1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea
CID 110892181
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
4-[[(4-methoxyphenyl)methyl-(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid
CID 122022550
1-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea
CID 110307723
1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054965
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113120193
1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea
CID 91316949
6-(2-pyridin-2-ylethylcarbamoylamino)hexanoic acid
CID 61185229
1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111193839
1-[2-(4-methoxyphenyl)ethyl]-3-octadecylurea
CID 139817703

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea (CID 60547411) is 1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea is COc1ccc(CCCNC(=O)NCCc2ccccn2)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea?
The InChIKey is LDNMGIRVYFQEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-23-17-9-7-15(8-10-17)5-4-13-20-18(22)21-14-11-16-6-2-3-12-19-16/h2-3,6-10,12H,4-5,11,13-14H2,1H3,(H2,20,21,22).
What are the key properties of 1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea?
1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea has a molecular weight of 313.40 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 60547411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).