1-methyl-3-(3-oxo-3-phenylpropyl)urea

C11H14N2O2 — CID 91603389

IUPAC1-methyl-3-(3-oxo-3-phenylpropyl)urea
SMILESCNC(=O)NCCC(=O)c1ccccc1
InChIInChI=1S/C11H14N2O2/c1-12-11(15)13-8-7-10(14)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,12,13,15)
InChIKeyJXEFYWBWWDNZQD-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.19
Rot. Bonds4

About 1-methyl-3-(3-oxo-3-phenylpropyl)urea

1-methyl-3-(3-oxo-3-phenylpropyl)urea (PubChem CID 91603389) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-methyl-3-(3-oxo-3-phenylpropyl)urea.

Molecular Properties

Compound Name1-methyl-3-(3-oxo-3-phenylpropyl)urea
PubChem CID91603389
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-methyl-3-(3-oxo-3-phenylpropyl)urea
SMILESCNC(=O)NCCC(=O)c1ccccc1
InChIInChI=1S/C11H14N2O2/c1-12-11(15)13-8-7-10(14)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,12,13,15)
InChIKeyJXEFYWBWWDNZQD-UHFFFAOYSA-N
XLogP1.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4,4-dihydroxy-1-phenylpentan-1-one
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3-(2-chloroethylamino)-1-phenylpropan-1-one
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1-phenyl-3-(3-trimethoxysilylpropylamino)propan-1-one
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3-[(5-oxo-5-phenylpentanoyl)amino]propanoic acid
CID 108796142
3-(butan-2-ylamino)-1-phenylpropan-1-one
CID 112509787
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
3-[[3-(4-methylphenyl)-3-oxopropyl]carbamoylamino]benzoic acid
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1-phenylbutan-1-one;hydrobromide
CID 139638507

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-oxo-3-phenylpropyl)urea?
The IUPAC name of 1-methyl-3-(3-oxo-3-phenylpropyl)urea (CID 91603389) is 1-methyl-3-(3-oxo-3-phenylpropyl)urea.
What is the SMILES notation for 1-methyl-3-(3-oxo-3-phenylpropyl)urea?
The canonical SMILES for 1-methyl-3-(3-oxo-3-phenylpropyl)urea is CNC(=O)NCCC(=O)c1ccccc1.
What is the InChIKey of 1-methyl-3-(3-oxo-3-phenylpropyl)urea?
The InChIKey is JXEFYWBWWDNZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-12-11(15)13-8-7-10(14)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,12,13,15).
What are the key properties of 1-methyl-3-(3-oxo-3-phenylpropyl)urea?
1-methyl-3-(3-oxo-3-phenylpropyl)urea has a molecular weight of 206.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-oxo-3-phenylpropyl)urea is sourced from PubChem (CID 91603389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).