1-[3-(cyclohexylmethoxy)-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea

C23H30N2O3 — CID 71455721

IUPAC1-[3-(cyclohexylmethoxy)-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea
SMILESCOc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1OCC1CCCCC1
InChIInChI=1S/C23H30N2O3/c1-17(19-11-7-4-8-12-19)24-23(26)25-20-13-14-21(27-2)22(15-20)28-16-18-9-5-3-6-10-18/h4,7-8,11-15,17-18H,3,5-6,9-10,16H2,1-2H3,(H2,24,25,26)/t17-/m0/s1
InChIKeyRDSYHJNKJFIRGB-KRWDZBQOSA-N
MW382.50 g/mol
LogP5.54
Rot. Bonds7

About 1-[3-(cyclohexylmethoxy)-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea

1-[3-(cyclohexylmethoxy)-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea (PubChem CID 71455721) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-[3-(cyclohexylmethoxy)-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[3-(cyclohexylmethoxy)-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea
PubChem CID71455721
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name1-[3-(cyclohexylmethoxy)-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea
SMILESCOc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1OCC1CCCCC1
InChIInChI=1S/C23H30N2O3/c1-17(19-11-7-4-8-12-19)24-23(26)25-20-13-14-21(27-2)22(15-20)28-16-18-9-5-3-6-10-18/h4,7-8,11-15,17-18H,3,5-6,9-10,16H2,1-2H3,(H2,24,25,26)/t17-/m0/s1
InChIKeyRDSYHJNKJFIRGB-KRWDZBQOSA-N
XLogP5.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(cyclohexylmethoxy)-4-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

1-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]-3-(3-methoxyphenyl)urea
CID 10298567
1-[2-(3,4-Diethoxyphenyl)ethyl]-3-(2-methylphenyl)urea
CID 934870
Urea, N-methoxy-N-methyl-N'-(4-(2-(4-methylphenyl)ethoxy)phenyl)-
CID 93385
1-(M-Anisyl)-3-benzylurea
CID 2822865
3-(M-Anisyl)-1,1-dibenzylurea
CID 3411091
1-[2-(4-Fluoro-phenyl)-1-methyl-ethyl]-1-methyl-3-(4-phenoxy-phenyl)-urea
CID 10915843
1-[2-(4-Methoxy-phenyl)-1-methyl-ethyl]-1-methyl-3-(4-phenoxy-phenyl)-urea
CID 11025578
1-(1-Benzyl-propyl)-1-methyl-3-(4-phenoxy-phenyl)-urea
CID 11760541
N-(4-ethoxybenzyl)-N'-phenylurea
CID 757706
N-[2-(4-chlorophenyl)ethyl]-N'-(3,4-dimethoxyphenyl)urea
CID 972007
4-benzyl-N-(3,4-dimethoxyphenyl)piperidine-1-carbothioamide
CID 2212069
1-(4-Methoxyphenyl)-3-(1-phenylethyl)urea
CID 2837289

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexylmethoxy)-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea?
The IUPAC name of 1-[3-(cyclohexylmethoxy)-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea (CID 71455721) is 1-[3-(cyclohexylmethoxy)-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea.
What is the SMILES notation for 1-[3-(cyclohexylmethoxy)-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea?
The canonical SMILES for 1-[3-(cyclohexylmethoxy)-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea is COc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1OCC1CCCCC1.
What is the InChIKey of 1-[3-(cyclohexylmethoxy)-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea?
The InChIKey is RDSYHJNKJFIRGB-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-17(19-11-7-4-8-12-19)24-23(26)25-20-13-14-21(27-2)22(15-20)28-16-18-9-5-3-6-10-18/h4,7-8,11-15,17-18H,3,5-6,9-10,16H2,1-2H3,(H2,24,25,26)/t17-/m0/s1.
What are the key properties of 1-[3-(cyclohexylmethoxy)-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea?
1-[3-(cyclohexylmethoxy)-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea has a molecular weight of 382.50 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexylmethoxy)-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea is sourced from PubChem (CID 71455721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).