1-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-phenylurea

C20H25N3O2 — CID 4236296

IUPAC1-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-phenylurea
SMILESCC(NC(=O)Nc1ccccc1)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H25N3O2/c1-16(21-20(24)22-18-10-6-3-7-11-18)19(17-8-4-2-5-9-17)23-12-14-25-15-13-23/h2-11,16,19H,12-15H2,1H3,(H2,21,22,24)
InChIKeyQNVUZVLYTMKDEP-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.27
Rot. Bonds5

About 1-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-phenylurea

1-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-phenylurea (PubChem CID 4236296) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-phenylurea
PubChem CID4236296
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-phenylurea
SMILESCC(NC(=O)Nc1ccccc1)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H25N3O2/c1-16(21-20(24)22-18-10-6-3-7-11-18)19(17-8-4-2-5-9-17)23-12-14-25-15-13-23/h2-11,16,19H,12-15H2,1H3,(H2,21,22,24)
InChIKeyQNVUZVLYTMKDEP-UHFFFAOYSA-N
XLogP3.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Piperazinecarboxylic acid, 4-(1-naphthylcarbamoyl)-, ethyl ester
CID 379219
Methoxyacetylfentanyl
CID 968688
3-(1-Benzylpiperidin-4-yl)-1-phenylurea
CID 4064342
4-Morpholinecarboxamide, N,N'-(methylenedi-4,1-phenylene)bis-
CID 116583
3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-(2-methylphenyl)urea
CID 4996665
(S)-N-[1-(3-morpholin-4-yl-phenyl)-ethyl]-3-phenyl-acrylamide
CID 9949648
3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-phenylurea
CID 24768227
1-(Biphenyl-4-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 46831055
1-(1-Propionylpiperidin-4-yl)-3-m-tolylurea
CID 49782798
1-(1-Propionylpiperidin-4-yl)-3-p-tolylurea
CID 49782799
1-Phenyl-3-(3-phenylpropyl)urea
CID 280361
N'-(3-chlorophenyl)-N-[1-(2-fluorophenyl)-3-butenyl]-N-[2-(4-morpholinyl)ethyl]urea
CID 4439884

Frequently Asked Questions

What is the IUPAC name of 1-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-phenylurea?
The IUPAC name of 1-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-phenylurea (CID 4236296) is 1-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-phenylurea.
What is the SMILES notation for 1-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-phenylurea?
The canonical SMILES for 1-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-phenylurea is CC(NC(=O)Nc1ccccc1)C(c1ccccc1)N1CCOCC1.
What is the InChIKey of 1-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-phenylurea?
The InChIKey is QNVUZVLYTMKDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16(21-20(24)22-18-10-6-3-7-11-18)19(17-8-4-2-5-9-17)23-12-14-25-15-13-23/h2-11,16,19H,12-15H2,1H3,(H2,21,22,24).
What are the key properties of 1-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-phenylurea?
1-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-phenylurea has a molecular weight of 339.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-phenylurea is sourced from PubChem (CID 4236296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).