1-[4-(4-methoxyphenyl)butyl]-3-(3-methylbutyl)urea

C17H28N2O2 — CID 110307825

IUPAC1-[4-(4-methoxyphenyl)butyl]-3-(3-methylbutyl)urea
SMILESCOc1ccc(CCCCNC(=O)NCCC(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-14(2)11-13-19-17(20)18-12-5-4-6-15-7-9-16(21-3)10-8-15/h7-10,14H,4-6,11-13H2,1-3H3,(H2,18,19,20)
InChIKeyOTMYNWYWLKDFRO-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.36
Rot. Bonds9

About 1-[4-(4-methoxyphenyl)butyl]-3-(3-methylbutyl)urea

1-[4-(4-methoxyphenyl)butyl]-3-(3-methylbutyl)urea (PubChem CID 110307825) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)butyl]-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)butyl]-3-(3-methylbutyl)urea
PubChem CID110307825
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[4-(4-methoxyphenyl)butyl]-3-(3-methylbutyl)urea
SMILESCOc1ccc(CCCCNC(=O)NCCC(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-14(2)11-13-19-17(20)18-12-5-4-6-15-7-9-16(21-3)10-8-15/h7-10,14H,4-6,11-13H2,1-3H3,(H2,18,19,20)
InChIKeyOTMYNWYWLKDFRO-UHFFFAOYSA-N
XLogP3.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-(4-methoxyphenyl)butyl]-3-(3-methylbutyl)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-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea
CID 110307723
5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide
CID 110297852
1-[2-(4-methoxyphenyl)ethyl]-3-octadecylurea
CID 139817703
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8007989
1-[2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea
CID 110307112
4-amino-N-[3-(4-methoxyphenyl)propyl]pentanamide
CID 120560980
tert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate
CID 11716285
N-(3-aminobutyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119496458
1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea
CID 95192114
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)butyl]-3-(3-methylbutyl)urea?
The IUPAC name of 1-[4-(4-methoxyphenyl)butyl]-3-(3-methylbutyl)urea (CID 110307825) is 1-[4-(4-methoxyphenyl)butyl]-3-(3-methylbutyl)urea.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)butyl]-3-(3-methylbutyl)urea?
The canonical SMILES for 1-[4-(4-methoxyphenyl)butyl]-3-(3-methylbutyl)urea is COc1ccc(CCCCNC(=O)NCCC(C)C)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)butyl]-3-(3-methylbutyl)urea?
The InChIKey is OTMYNWYWLKDFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(2)11-13-19-17(20)18-12-5-4-6-15-7-9-16(21-3)10-8-15/h7-10,14H,4-6,11-13H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-[4-(4-methoxyphenyl)butyl]-3-(3-methylbutyl)urea?
1-[4-(4-methoxyphenyl)butyl]-3-(3-methylbutyl)urea has a molecular weight of 292.42 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)butyl]-3-(3-methylbutyl)urea is sourced from PubChem (CID 110307825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).