1-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea

C22H27N3O3 — CID 51935416

IUPAC1-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea
SMILESC[C@@H](c1ccccc1)N(C)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-17(19-6-4-3-5-7-19)24(2)22(27)23-16-18-8-10-20(11-9-18)21(26)25-12-14-28-15-13-25/h3-11,17H,12-16H2,1-2H3,(H,23,27)/t17-/m0/s1
InChIKeyFCBKRPUSMQGNIJ-KRWDZBQOSA-N
MW381.48 g/mol
LogP3.06
Rot. Bonds5

About 1-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea

1-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea (PubChem CID 51935416) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea
PubChem CID51935416
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea
SMILESC[C@@H](c1ccccc1)N(C)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-17(19-6-4-3-5-7-19)24(2)22(27)23-16-18-8-10-20(11-9-18)21(26)25-12-14-28-15-13-25/h3-11,17H,12-16H2,1-2H3,(H,23,27)/t17-/m0/s1
InChIKeyFCBKRPUSMQGNIJ-KRWDZBQOSA-N
XLogP3.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea
CID 31647122
2-[benzyl(methyl)amino]-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
CID 32726719
1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-[(1R)-1-phenylethyl]urea
CID 41191153
4-acetyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 42938457
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
1-[(1R)-1-(4-chlorophenyl)ethyl]-1-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 51935301
N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045422
3-benzyl-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 134040552
N-benzyl-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 37476685
2-(4-ethylpiperazin-1-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
CID 86918685
1-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 51957434
3-amino-3-phenyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide
CID 119949149

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea?
The IUPAC name of 1-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea (CID 51935416) is 1-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea.
What is the SMILES notation for 1-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea?
The canonical SMILES for 1-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea is C[C@@H](c1ccccc1)N(C)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 1-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea?
The InChIKey is FCBKRPUSMQGNIJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17(19-6-4-3-5-7-19)24(2)22(27)23-16-18-8-10-20(11-9-18)21(26)25-12-14-28-15-13-25/h3-11,17H,12-16H2,1-2H3,(H,23,27)/t17-/m0/s1.
What are the key properties of 1-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea?
1-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea has a molecular weight of 381.48 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea is sourced from PubChem (CID 51935416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).