N-methyl-N-(3-oxo-3-phenylpropyl)formamide

C11H13NO2 — CID 15311171

IUPACN-methyl-N-(3-oxo-3-phenylpropyl)formamide
SMILESCN(C=O)CCC(=O)c1ccccc1
InChIInChI=1S/C11H13NO2/c1-12(9-13)8-7-11(14)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyUBLAMGLZYYIDOI-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.35
Rot. Bonds5

About N-methyl-N-(3-oxo-3-phenylpropyl)formamide

N-methyl-N-(3-oxo-3-phenylpropyl)formamide (PubChem CID 15311171) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-methyl-N-(3-oxo-3-phenylpropyl)formamide.

Molecular Properties

Compound NameN-methyl-N-(3-oxo-3-phenylpropyl)formamide
PubChem CID15311171
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC NameN-methyl-N-(3-oxo-3-phenylpropyl)formamide
SMILESCN(C=O)CCC(=O)c1ccccc1
InChIInChI=1S/C11H13NO2/c1-12(9-13)8-7-11(14)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyUBLAMGLZYYIDOI-UHFFFAOYSA-N
XLogP1.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methane;N-methyl-N-(3-phenylbut-3-enyl)formamide
CID 143368877
3-(N-methylanilino)-1-phenylpropan-1-one
CID 15652804
3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
CID 13496280
3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one
CID 62611924
3-[ethyl(propyl)amino]-1-phenylpropan-1-one
CID 62614249
17-(dimethylamino)-1-phenylheptadecan-1-one;hydrobromide
CID 175178049
3-(dibutylamino)-1-phenylpropan-1-one
CID 62614247
1-phenylbutan-1-one
CID 10315
3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one
CID 135021147
4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one
CID 114237475
N,N-dimethylmethanamine;1-phenylpropan-1-one
CID 174454319
4-oxo-4-phenylbutanoyl chloride
CID 10932389

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-oxo-3-phenylpropyl)formamide?
The IUPAC name of N-methyl-N-(3-oxo-3-phenylpropyl)formamide (CID 15311171) is N-methyl-N-(3-oxo-3-phenylpropyl)formamide.
What is the SMILES notation for N-methyl-N-(3-oxo-3-phenylpropyl)formamide?
The canonical SMILES for N-methyl-N-(3-oxo-3-phenylpropyl)formamide is CN(C=O)CCC(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-(3-oxo-3-phenylpropyl)formamide?
The InChIKey is UBLAMGLZYYIDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12(9-13)8-7-11(14)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3.
What are the key properties of N-methyl-N-(3-oxo-3-phenylpropyl)formamide?
N-methyl-N-(3-oxo-3-phenylpropyl)formamide has a molecular weight of 191.23 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-oxo-3-phenylpropyl)formamide is sourced from PubChem (CID 15311171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).