1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea

C23H31N3O2 — CID 87000273

IUPAC1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea
SMILESCCCN(Cc1ccccc1)C(=O)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H31N3O2/c1-2-12-26(19-21-6-4-3-5-7-21)23(27)24-17-20-8-10-22(11-9-20)18-25-13-15-28-16-14-25/h3-11H,2,12-19H2,1H3,(H,24,27)
InChIKeyNRROFFLDOBSWAT-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.64
Rot. Bonds8

About 1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea

1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea (PubChem CID 87000273) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea.

Molecular Properties

Compound Name1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea
PubChem CID87000273
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea
SMILESCCCN(Cc1ccccc1)C(=O)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H31N3O2/c1-2-12-26(19-21-6-4-3-5-7-21)23(27)24-17-20-8-10-22(11-9-20)18-25-13-15-28-16-14-25/h3-11H,2,12-19H2,1H3,(H,24,27)
InChIKeyNRROFFLDOBSWAT-UHFFFAOYSA-N
XLogP3.64
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea 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-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-prop-2-enylurea
CID 87000266
3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea
CID 42706411
3-benzyl-1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
CID 110670133
1-benzyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-propylurea
CID 86999609
2-[benzyl(propyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 29233711
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea
CID 31647122
1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea
CID 59826221
1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 30312063
2-(dimethylamino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 51127553
1-[(3,4-dichlorophenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 30311979
(2R)-2-(dimethylamino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 52522894

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea?
The IUPAC name of 1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea (CID 87000273) is 1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea.
What is the SMILES notation for 1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea?
The canonical SMILES for 1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea is CCCN(Cc1ccccc1)C(=O)NCc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea?
The InChIKey is NRROFFLDOBSWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-2-12-26(19-21-6-4-3-5-7-21)23(27)24-17-20-8-10-22(11-9-20)18-25-13-15-28-16-14-25/h3-11H,2,12-19H2,1H3,(H,24,27).
What are the key properties of 1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea?
1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea has a molecular weight of 381.52 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea is sourced from PubChem (CID 87000273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).