1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea

C23H31N3O2 — CID 42934834

IUPAC1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESCC(C)C(NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C23H31N3O2/c1-18(2)22(21-6-4-3-5-7-21)25-23(27)24-16-19-8-10-20(11-9-19)17-26-12-14-28-15-13-26/h3-11,18,22H,12-17H2,1-2H3,(H2,24,25,27)
InChIKeyRMUDDQXNTZLGLC-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.72
Rot. Bonds7

About 1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea

1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea (PubChem CID 42934834) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
PubChem CID42934834
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESCC(C)C(NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C23H31N3O2/c1-18(2)22(21-6-4-3-5-7-21)25-23(27)24-16-19-8-10-20(11-9-19)17-26-12-14-28-15-13-26/h3-11,18,22H,12-17H2,1-2H3,(H2,24,25,27)
InChIKeyRMUDDQXNTZLGLC-UHFFFAOYSA-N
XLogP3.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide
CID 26008683
1-[(1R)-1-(2-methylphenyl)ethyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 30311935
1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea
CID 31647122
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
1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea
CID 110936500
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 86918572
1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea
CID 86916245
N-[(1S)-2-methyl-1-phenylpropyl]morpholine-4-carboxamide
CID 34672149
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8756584
1-[(4-chlorophenyl)methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36874306

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea (CID 42934834) is 1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea is CC(C)C(NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of 1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The InChIKey is RMUDDQXNTZLGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-18(2)22(21-6-4-3-5-7-21)25-23(27)24-16-19-8-10-20(11-9-19)17-26-12-14-28-15-13-26/h3-11,18,22H,12-17H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea?
1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea has a molecular weight of 381.52 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 42934834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).