1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea

C24H23N3O3 — CID 71898747

IUPAC1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C24H23N3O3/c28-23(27-15-16-30-22(17-27)18-7-3-1-4-8-18)19-11-13-21(14-12-19)26-24(29)25-20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H2,25,26,29)
InChIKeyNSKSTTCISBMVHU-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.54
Rot. Bonds4

About 1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea

1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea (PubChem CID 71898747) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea
PubChem CID71898747
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C24H23N3O3/c28-23(27-15-16-30-22(17-27)18-7-3-1-4-8-18)19-11-13-21(14-12-19)26-24(29)25-20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H2,25,26,29)
InChIKeyNSKSTTCISBMVHU-UHFFFAOYSA-N
XLogP4.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea
CID 46570389
N-[4-(2-phenylmorpholine-4-carbonyl)phenyl]benzamide
CID 42944919
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 96556883
[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone
CID 131903363
N-phenyl-4-(2-phenylmorpholine-4-carbonyl)piperidine-1-carboxamide
CID 128925946
N-(4-ethylphenyl)-2-phenylmorpholine-4-carboxamide
CID 84526380
(6-fluoro-3-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
CID 63979909
[(2R)-2-phenylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 96558365
N-[4-hydroxy-3-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl]acetamide
CID 97028515
2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide
CID 55698518
tert-butyl N-[3-(2-phenylmorpholine-4-carbonyl)phenyl]carbamate
CID 134039996

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea?
The IUPAC name of 1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea (CID 71898747) is 1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea.
What is the SMILES notation for 1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea?
The canonical SMILES for 1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea is O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCOC(c3ccccc3)C2)cc1.
What is the InChIKey of 1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea?
The InChIKey is NSKSTTCISBMVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c28-23(27-15-16-30-22(17-27)18-7-3-1-4-8-18)19-11-13-21(14-12-19)26-24(29)25-20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H2,25,26,29).
What are the key properties of 1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea?
1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea has a molecular weight of 401.47 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea is sourced from PubChem (CID 71898747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).