1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea

C22H29N3O2 — CID 31647122

IUPAC1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea
SMILESC[C@@H](c1ccccc1)N(C)C(=O)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-18(21-6-4-3-5-7-21)24(2)22(26)23-16-19-8-10-20(11-9-19)17-25-12-14-27-15-13-25/h3-11,18H,12-17H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKeyOGDXRHSUMJUSHT-SFHVURJKSA-N
MW367.49 g/mol
LogP3.42
Rot. Bonds6

About 1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea

1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea (PubChem CID 31647122) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea
PubChem CID31647122
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea
SMILESC[C@@H](c1ccccc1)N(C)C(=O)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-18(21-6-4-3-5-7-21)24(2)22(26)23-16-19-8-10-20(11-9-19)17-25-12-14-27-15-13-25/h3-11,18H,12-17H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKeyOGDXRHSUMJUSHT-SFHVURJKSA-N
XLogP3.42
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea
CID 51935416
1-[(1R)-1-(4-chlorophenyl)ethyl]-1-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 51935301
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
(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide
CID 26008683
1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 42934834
1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea
CID 87000273
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 86918572
3-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea
CID 86867437
1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-[(1R)-1-phenylethyl]urea
CID 41191153
1-[(3,4-dichlorophenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 30311979

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea?
The IUPAC name of 1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea (CID 31647122) is 1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea.
What is the SMILES notation for 1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea?
The canonical SMILES for 1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea is C[C@@H](c1ccccc1)N(C)C(=O)NCc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea?
The InChIKey is OGDXRHSUMJUSHT-SFHVURJKSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-18(21-6-4-3-5-7-21)24(2)22(26)23-16-19-8-10-20(11-9-19)17-25-12-14-27-15-13-25/h3-11,18H,12-17H2,1-2H3,(H,23,26)/t18-/m0/s1.
What are the key properties of 1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea?
1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea has a molecular weight of 367.49 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea is sourced from PubChem (CID 31647122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).