1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-prop-2-enylurea

C23H29N3O2 — CID 87000266

IUPAC1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-prop-2-enylurea
SMILESC=CCN(Cc1ccccc1)C(=O)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H29N3O2/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/h2-11H,1,12-19H2,(H,24,27)
InChIKeyNWVTZOILFMIJSP-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.42
Rot. Bonds8

About 1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-prop-2-enylurea

1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-prop-2-enylurea (PubChem CID 87000266) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-prop-2-enylurea.

Molecular Properties

Compound Name1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-prop-2-enylurea
PubChem CID87000266
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-prop-2-enylurea
SMILESC=CCN(Cc1ccccc1)C(=O)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H29N3O2/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/h2-11H,1,12-19H2,(H,24,27)
InChIKeyNWVTZOILFMIJSP-UHFFFAOYSA-N
XLogP3.42
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea
CID 87000273
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea
CID 42706411
1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 30312063
1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea
CID 31647122
1-[(3,4-dichlorophenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 30311979
3-benzyl-1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
CID 110670133
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 86914093
1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea
CID 59826221
3-(1-benzylpiperidin-4-yl)-1,1-bis(prop-2-enyl)urea
CID 127574650
2-(dimethylamino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 51127553
(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-prop-2-enylurea?
The IUPAC name of 1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-prop-2-enylurea (CID 87000266) is 1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-prop-2-enylurea.
What is the SMILES notation for 1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-prop-2-enylurea?
The canonical SMILES for 1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-prop-2-enylurea is C=CCN(Cc1ccccc1)C(=O)NCc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-prop-2-enylurea?
The InChIKey is NWVTZOILFMIJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/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/h2-11H,1,12-19H2,(H,24,27).
What are the key properties of 1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-prop-2-enylurea?
1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-prop-2-enylurea has a molecular weight of 379.50 g/mol, XLogP of 3.42, 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-prop-2-enylurea is sourced from PubChem (CID 87000266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).