3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea

C29H35N3O3 — CID 42701222

IUPAC3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
SMILESCCc1ccc(NC(=O)N(CCCN2CCOCC2)Cc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C29H35N3O3/c1-2-24-12-14-26(15-13-24)30-29(33)32(17-7-16-31-18-20-34-21-19-31)23-25-8-6-11-28(22-25)35-27-9-4-3-5-10-27/h3-6,8-15,22H,2,7,16-21,23H2,1H3,(H,30,33)
InChIKeyDVEFTOJJOFSUKM-UHFFFAOYSA-N
MW473.62 g/mol
LogP5.80
Rot. Bonds10

About 3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea

3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea (PubChem CID 42701222) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
PubChem CID42701222
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC Name3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
SMILESCCc1ccc(NC(=O)N(CCCN2CCOCC2)Cc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C29H35N3O3/c1-2-24-12-14-26(15-13-24)30-29(33)32(17-7-16-31-18-20-34-21-19-31)23-25-8-6-11-28(22-25)35-27-9-4-3-5-10-27/h3-6,8-15,22H,2,7,16-21,23H2,1H3,(H,30,33)
InChIKeyDVEFTOJJOFSUKM-UHFFFAOYSA-N
XLogP5.80
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]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

3-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42697897
ethyl 4-[[3-morpholin-4-ylpropyl-[(3-phenylmethoxyphenyl)methyl]carbamoyl]amino]benzoate
CID 42705029
N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide
CID 42701309
3-(2,3-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42701220
3-(3-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]urea
CID 42705031
3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42697904
4-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42705023
1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 3249090
1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42701155
3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 5011395
N-(2-morpholin-4-ylethyl)-N-[(3-phenoxyphenyl)methyl]pentanamide
CID 42697864
3-(2,4-difluorophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42697900

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea?
The IUPAC name of 3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea (CID 42701222) is 3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea.
What is the SMILES notation for 3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea?
The canonical SMILES for 3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea is CCc1ccc(NC(=O)N(CCCN2CCOCC2)Cc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea?
The InChIKey is DVEFTOJJOFSUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-2-24-12-14-26(15-13-24)30-29(33)32(17-7-16-31-18-20-34-21-19-31)23-25-8-6-11-28(22-25)35-27-9-4-3-5-10-27/h3-6,8-15,22H,2,7,16-21,23H2,1H3,(H,30,33).
What are the key properties of 3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea?
3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea has a molecular weight of 473.62 g/mol, XLogP of 5.80, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea is sourced from PubChem (CID 42701222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).