1-(3-butoxy-2-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea

C20H26N2O3 — CID 174685304

IUPAC1-(3-butoxy-2-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea
SMILESCCCCOc1cccc(NC(=O)N[C@@H](C)c2ccccc2)c1OC
InChIInChI=1S/C20H26N2O3/c1-4-5-14-25-18-13-9-12-17(19(18)24-3)22-20(23)21-15(2)16-10-7-6-8-11-16/h6-13,15H,4-5,14H2,1-3H3,(H2,21,22,23)/t15-/m0/s1
InChIKeyATYKEKVPDSONRY-HNNXBMFYSA-N
MW342.44 g/mol
LogP4.76
Rot. Bonds8

About 1-(3-butoxy-2-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea

1-(3-butoxy-2-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea (PubChem CID 174685304) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(3-butoxy-2-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(3-butoxy-2-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea
PubChem CID174685304
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-(3-butoxy-2-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea
SMILESCCCCOc1cccc(NC(=O)N[C@@H](C)c2ccccc2)c1OC
InChIInChI=1S/C20H26N2O3/c1-4-5-14-25-18-13-9-12-17(19(18)24-3)22-20(23)21-15(2)16-10-7-6-8-11-16/h6-13,15H,4-5,14H2,1-3H3,(H2,21,22,23)/t15-/m0/s1
InChIKeyATYKEKVPDSONRY-HNNXBMFYSA-N
XLogP4.76
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-butoxy-2-methoxyphenyl)-3-[(1S)-1-phenylethyl]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

2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 8766894
1,3-bis(2-butoxyphenyl)urea
CID 17170447
1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea
CID 40636304
1-(2,5-dimethoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 40636303
N'-[(1R)-1-phenylethyl]-N-(2-propoxyphenyl)butanediamide
CID 97098873
butyl N-(1-phenylethyl)carbamate
CID 571821
1-(2-butoxyphenyl)-3-phenylurea
CID 17087022
3-butoxy-2-methoxybenzoic acid
CID 82161610
1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168567
2-[(2-methoxyphenyl)carbamoylamino]-3-phenyl-N-(1-phenylethyl)propanamide
CID 42701995
1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 133204349
1-(2-methylphenyl)-3-(1-phenylethyl)urea
CID 19165597

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxy-2-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea?
The IUPAC name of 1-(3-butoxy-2-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea (CID 174685304) is 1-(3-butoxy-2-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea.
What is the SMILES notation for 1-(3-butoxy-2-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea?
The canonical SMILES for 1-(3-butoxy-2-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea is CCCCOc1cccc(NC(=O)N[C@@H](C)c2ccccc2)c1OC.
What is the InChIKey of 1-(3-butoxy-2-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea?
The InChIKey is ATYKEKVPDSONRY-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-5-14-25-18-13-9-12-17(19(18)24-3)22-20(23)21-15(2)16-10-7-6-8-11-16/h6-13,15H,4-5,14H2,1-3H3,(H2,21,22,23)/t15-/m0/s1.
What are the key properties of 1-(3-butoxy-2-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea?
1-(3-butoxy-2-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea has a molecular weight of 342.44 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxy-2-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea is sourced from PubChem (CID 174685304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).