N-methyl-N-(2-oxo-4-phenylbutyl)formamide

C12H15NO2 — CID 12608028

IUPACN-methyl-N-(2-oxo-4-phenylbutyl)formamide
SMILESCN(C=O)CC(=O)CCc1ccccc1
InChIInChI=1S/C12H15NO2/c1-13(10-14)9-12(15)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyVDYRGOUQOZJVLA-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.28
Rot. Bonds6

About N-methyl-N-(2-oxo-4-phenylbutyl)formamide

N-methyl-N-(2-oxo-4-phenylbutyl)formamide (PubChem CID 12608028) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-methyl-N-(2-oxo-4-phenylbutyl)formamide.

Molecular Properties

Compound NameN-methyl-N-(2-oxo-4-phenylbutyl)formamide
PubChem CID12608028
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-methyl-N-(2-oxo-4-phenylbutyl)formamide
SMILESCN(C=O)CC(=O)CCc1ccccc1
InChIInChI=1S/C12H15NO2/c1-13(10-14)9-12(15)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyVDYRGOUQOZJVLA-UHFFFAOYSA-N
XLogP1.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.28
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

(2Z)-2-(dimethylaminomethylidene)-4-phenylbutanal
CID 125466026
methanamine;1-phenylpentan-3-one
CID 167492251
1-[methyl(2-phenylethyl)amino]pentan-2-one
CID 65486864
ethane;3-phenylpropanoyl chloride
CID 90742356
1-(4-tert-butylphenyl)-5-phenylpentan-3-one
CID 71658450
4-phenyl-1-(prop-2-ynylamino)butan-2-one
CID 116589465
1-phenylnonane-3,5-dione
CID 14763643
N-methyl-N-(3-oxo-3-phenylpropyl)formamide
CID 15311171
lanthanum;3-phenylpropanoic acid
CID 174887955
1,6-diphenylhexane-1,4-dione
CID 70896086
4-phenylbutan-2-one;prop-1-ene
CID 166128425
N-[(E)-2,3-diphenylprop-2-enyl]-N-methylformamide
CID 101473048

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-oxo-4-phenylbutyl)formamide?
The IUPAC name of N-methyl-N-(2-oxo-4-phenylbutyl)formamide (CID 12608028) is N-methyl-N-(2-oxo-4-phenylbutyl)formamide.
What is the SMILES notation for N-methyl-N-(2-oxo-4-phenylbutyl)formamide?
The canonical SMILES for N-methyl-N-(2-oxo-4-phenylbutyl)formamide is CN(C=O)CC(=O)CCc1ccccc1.
What is the InChIKey of N-methyl-N-(2-oxo-4-phenylbutyl)formamide?
The InChIKey is VDYRGOUQOZJVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13(10-14)9-12(15)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3.
What are the key properties of N-methyl-N-(2-oxo-4-phenylbutyl)formamide?
N-methyl-N-(2-oxo-4-phenylbutyl)formamide has a molecular weight of 205.26 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-oxo-4-phenylbutyl)formamide is sourced from PubChem (CID 12608028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).