1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]urea

C20H26N2O3 — CID 100747414

IUPAC1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]urea
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C20H26N2O3/c1-14(2)13-18(15-9-11-16(24-3)12-10-15)22-20(23)21-17-7-5-6-8-19(17)25-4/h5-12,14,18H,13H2,1-4H3,(H2,21,22,23)/t18-/m0/s1
InChIKeyBLBZFZXHDOPTEF-SFHVURJKSA-N
MW342.44 g/mol
LogP4.61
Rot. Bonds7

About 1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]urea

1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]urea (PubChem CID 100747414) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]urea
PubChem CID100747414
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]urea
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C20H26N2O3/c1-14(2)13-18(15-9-11-16(24-3)12-10-15)22-20(23)21-17-7-5-6-8-19(17)25-4/h5-12,14,18H,13H2,1-4H3,(H2,21,22,23)/t18-/m0/s1
InChIKeyBLBZFZXHDOPTEF-SFHVURJKSA-N
XLogP4.61
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-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-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 78798433
1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea
CID 92685488
1-(2-methoxyphenyl)-3-[1-(4-methylphenyl)propyl]urea
CID 133204326
1-(2-amino-1-phenylethyl)-3-(2-methoxyphenyl)urea
CID 63767864
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)propanamide
CID 93487722
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea
CID 100748636
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-1-yloxypropanamide
CID 92671905
(2R)-2-(2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 92674399
1-(3-chlorophenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]urea
CID 132652765
1-(2-methoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea
CID 121176489

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]urea (CID 100747414) is 1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]urea is COc1ccc([C@H](CC(C)C)NC(=O)Nc2ccccc2OC)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]urea?
The InChIKey is BLBZFZXHDOPTEF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14(2)13-18(15-9-11-16(24-3)12-10-15)22-20(23)21-17-7-5-6-8-19(17)25-4/h5-12,14,18H,13H2,1-4H3,(H2,21,22,23)/t18-/m0/s1.
What are the key properties of 1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]urea?
1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]urea has a molecular weight of 342.44 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]urea is sourced from PubChem (CID 100747414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).