1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(1-phenylcyclobutyl)urea

C24H29N3O3 — CID 86888650

IUPAC1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(1-phenylcyclobutyl)urea
SMILESO=C(NCC(C(=O)N1CCOCC1)c1ccccc1)NC1(c2ccccc2)CCC1
InChIInChI=1S/C24H29N3O3/c28-22(27-14-16-30-17-15-27)21(19-8-3-1-4-9-19)18-25-23(29)26-24(12-7-13-24)20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2,(H2,25,26,29)
InChIKeyXJJQHKMIKJNCCQ-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.01
Rot. Bonds6

About 1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(1-phenylcyclobutyl)urea

1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(1-phenylcyclobutyl)urea (PubChem CID 86888650) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(1-phenylcyclobutyl)urea.

Molecular Properties

Compound Name1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(1-phenylcyclobutyl)urea
PubChem CID86888650
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(1-phenylcyclobutyl)urea
SMILESO=C(NCC(C(=O)N1CCOCC1)c1ccccc1)NC1(c2ccccc2)CCC1
InChIInChI=1S/C24H29N3O3/c28-22(27-14-16-30-17-15-27)21(19-8-3-1-4-9-19)18-25-23(29)26-24(12-7-13-24)20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2,(H2,25,26,29)
InChIKeyXJJQHKMIKJNCCQ-UHFFFAOYSA-N
XLogP3.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[(2R)-3-morpholin-4-yl-3-oxo-2-phenylpropyl]cyclopentane-1-carboxamide
CID 95183567
1-(2-morpholin-4-ylethyl)-3-(1-phenylcyclobutyl)urea
CID 113216911
1-(3-methyl-3-phenylbutan-2-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
CID 86886974
N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 86886437
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
1-[1-(2-methylpropyl)piperidin-4-yl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
CID 86886149
3-[(2-methyloxolan-3-yl)amino]-1-morpholin-4-yl-2-phenylpropan-1-one
CID 75441504
1-(1-benzylpyrazol-4-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
CID 86886425
1-morpholin-4-yl-2-phenyl-3-[(4-propan-2-ylphenyl)methylamino]propan-1-one
CID 86893294
1-[4-(dimethylamino)-2-methylphenyl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
CID 86886318
3-[(2,4-dichlorophenyl)methylamino]-1-morpholin-4-yl-2-phenylpropan-1-one
CID 86893298
3-amino-1-(1,4-oxazepan-4-yl)-2-phenylpropan-1-one
CID 55139401

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(1-phenylcyclobutyl)urea?
The IUPAC name of 1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(1-phenylcyclobutyl)urea (CID 86888650) is 1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(1-phenylcyclobutyl)urea.
What is the SMILES notation for 1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(1-phenylcyclobutyl)urea?
The canonical SMILES for 1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(1-phenylcyclobutyl)urea is O=C(NCC(C(=O)N1CCOCC1)c1ccccc1)NC1(c2ccccc2)CCC1.
What is the InChIKey of 1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(1-phenylcyclobutyl)urea?
The InChIKey is XJJQHKMIKJNCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c28-22(27-14-16-30-17-15-27)21(19-8-3-1-4-9-19)18-25-23(29)26-24(12-7-13-24)20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2,(H2,25,26,29).
What are the key properties of 1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(1-phenylcyclobutyl)urea?
1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(1-phenylcyclobutyl)urea has a molecular weight of 407.51 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(1-phenylcyclobutyl)urea is sourced from PubChem (CID 86888650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).