1-(1,4-diphenylbutyl)-3-(3-morpholin-4-yl-3-oxopropyl)urea

C24H31N3O3 — CID 47048242

IUPAC1-(1,4-diphenylbutyl)-3-(3-morpholin-4-yl-3-oxopropyl)urea
SMILESO=C(NCCC(=O)N1CCOCC1)NC(CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C24H31N3O3/c28-23(27-16-18-30-19-17-27)14-15-25-24(29)26-22(21-11-5-2-6-12-21)13-7-10-20-8-3-1-4-9-20/h1-6,8-9,11-12,22H,7,10,13-19H2,(H2,25,26,29)
InChIKeyUICNLICMINAUOI-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.30
Rot. Bonds9

About 1-(1,4-diphenylbutyl)-3-(3-morpholin-4-yl-3-oxopropyl)urea

1-(1,4-diphenylbutyl)-3-(3-morpholin-4-yl-3-oxopropyl)urea (PubChem CID 47048242) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-(1,4-diphenylbutyl)-3-(3-morpholin-4-yl-3-oxopropyl)urea.

Molecular Properties

Compound Name1-(1,4-diphenylbutyl)-3-(3-morpholin-4-yl-3-oxopropyl)urea
PubChem CID47048242
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name1-(1,4-diphenylbutyl)-3-(3-morpholin-4-yl-3-oxopropyl)urea
SMILESO=C(NCCC(=O)N1CCOCC1)NC(CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C24H31N3O3/c28-23(27-16-18-30-19-17-27)14-15-25-24(29)26-22(21-11-5-2-6-12-21)13-7-10-20-8-3-1-4-9-20/h1-6,8-9,11-12,22H,7,10,13-19H2,(H2,25,26,29)
InChIKeyUICNLICMINAUOI-UHFFFAOYSA-N
XLogP3.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one
CID 115676486
3-morpholin-4-yl-3-oxo-N-(3-phenylpropyl)propanamide
CID 108943481
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,4-diphenylbutyl)urea
CID 112834731
1-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea
CID 42954314
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(1R)-1-phenylethyl]urea
CID 52810285
[(1R)-1-[[(2R)-2-(methylcarbamoylamino)-4-morpholin-4-yl-4-oxobutanoyl]amino]-4-phenylbutyl]boronic acid
CID 168919882
4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide
CID 40719548
(2S)-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid
CID 91162995
1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 110425931
3-anilino-1-morpholin-4-yl-3-phenylpropan-1-one
CID 13116197

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diphenylbutyl)-3-(3-morpholin-4-yl-3-oxopropyl)urea?
The IUPAC name of 1-(1,4-diphenylbutyl)-3-(3-morpholin-4-yl-3-oxopropyl)urea (CID 47048242) is 1-(1,4-diphenylbutyl)-3-(3-morpholin-4-yl-3-oxopropyl)urea.
What is the SMILES notation for 1-(1,4-diphenylbutyl)-3-(3-morpholin-4-yl-3-oxopropyl)urea?
The canonical SMILES for 1-(1,4-diphenylbutyl)-3-(3-morpholin-4-yl-3-oxopropyl)urea is O=C(NCCC(=O)N1CCOCC1)NC(CCCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1,4-diphenylbutyl)-3-(3-morpholin-4-yl-3-oxopropyl)urea?
The InChIKey is UICNLICMINAUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c28-23(27-16-18-30-19-17-27)14-15-25-24(29)26-22(21-11-5-2-6-12-21)13-7-10-20-8-3-1-4-9-20/h1-6,8-9,11-12,22H,7,10,13-19H2,(H2,25,26,29).
What are the key properties of 1-(1,4-diphenylbutyl)-3-(3-morpholin-4-yl-3-oxopropyl)urea?
1-(1,4-diphenylbutyl)-3-(3-morpholin-4-yl-3-oxopropyl)urea has a molecular weight of 409.53 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diphenylbutyl)-3-(3-morpholin-4-yl-3-oxopropyl)urea is sourced from PubChem (CID 47048242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).