1-benzyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-propylurea

C19H31N3O2 — CID 86999609

IUPAC1-benzyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-propylurea
SMILESCCCN(Cc1ccccc1)C(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C19H31N3O2/c1-4-10-21(15-17-8-6-5-7-9-17)18(23)20-16-19(2,3)22-11-13-24-14-12-22/h5-9H,4,10-16H2,1-3H3,(H,20,23)
InChIKeyNAMITBAIBCWWHS-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.72
Rot. Bonds7

About 1-benzyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-propylurea

1-benzyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-propylurea (PubChem CID 86999609) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-benzyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-propylurea.

Molecular Properties

Compound Name1-benzyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-propylurea
PubChem CID86999609
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-benzyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-propylurea
SMILESCCCN(Cc1ccccc1)C(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C19H31N3O2/c1-4-10-21(15-17-8-6-5-7-9-17)18(23)20-16-19(2,3)22-11-13-24-14-12-22/h5-9H,4,10-16H2,1-3H3,(H,20,23)
InChIKeyNAMITBAIBCWWHS-UHFFFAOYSA-N
XLogP2.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-(2-methyl-2-morpholin-4-ylpropyl)-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-propylurea
CID 87000273
3-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 110024325
2-(benzylcarbamoylamino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 30905093
N-(2-methyl-2-morpholin-4-ylpropyl)-2-phenylpentanamide
CID 47005479
2-(4-benzylpiperazin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 46491153
1-benzyl-1-(2-hydroxyethyl)-3-(2-morpholin-4-ylpropyl)urea
CID 78892497
3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea
CID 42706411
N-benzyl-2-[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]acetamide
CID 111314876
N-(2-methyl-2-morpholin-4-ylpropyl)-1-phenylcyclopropane-1-carboxamide
CID 51173133
3-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
CID 110670194
N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 4801976
1-benzyl-3-phenyl-1-propylurea
CID 78786424

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-propylurea?
The IUPAC name of 1-benzyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-propylurea (CID 86999609) is 1-benzyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-propylurea.
What is the SMILES notation for 1-benzyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-propylurea?
The canonical SMILES for 1-benzyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-propylurea is CCCN(Cc1ccccc1)C(=O)NCC(C)(C)N1CCOCC1.
What is the InChIKey of 1-benzyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-propylurea?
The InChIKey is NAMITBAIBCWWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-4-10-21(15-17-8-6-5-7-9-17)18(23)20-16-19(2,3)22-11-13-24-14-12-22/h5-9H,4,10-16H2,1-3H3,(H,20,23).
What are the key properties of 1-benzyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-propylurea?
1-benzyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-propylurea has a molecular weight of 333.48 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-propylurea is sourced from PubChem (CID 86999609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).