methane;3-(3-oxopropyl)benzamide

C11H15NO2 — CID 178062718

IUPACmethane;3-(3-oxopropyl)benzamide
SMILESC.NC(=O)c1cccc(CCC=O)c1
InChIInChI=1S/C10H11NO2.CH4/c11-10(13)9-5-1-3-8(7-9)4-2-6-12;/h1,3,5-7H,2,4H2,(H2,11,13);1H4
InChIKeyPXHLHJFUQDVOAC-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.55
Rot. Bonds4

About methane;3-(3-oxopropyl)benzamide

methane;3-(3-oxopropyl)benzamide (PubChem CID 178062718) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methane;3-(3-oxopropyl)benzamide.

Molecular Properties

Compound Namemethane;3-(3-oxopropyl)benzamide
PubChem CID178062718
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethane;3-(3-oxopropyl)benzamide
SMILESC.NC(=O)c1cccc(CCC=O)c1
InChIInChI=1S/C10H11NO2.CH4/c11-10(13)9-5-1-3-8(7-9)4-2-6-12;/h1,3,5-7H,2,4H2,(H2,11,13);1H4
InChIKeyPXHLHJFUQDVOAC-UHFFFAOYSA-N
XLogP1.55
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(12-amino-12-oxododecyl)benzamide
CID 19832819
3-(sulfanylmethyl)benzamide
CID 118350806
3-[3-(hydroxyamino)-3-oxopropyl]benzamide
CID 141465309
3-(12-oxododecyl)benzoic acid
CID 87632066
3-benzylbenzamide;hydrochloride
CID 159409318
ethyl 3-(4-oxobutyl)benzoate
CID 23468111
8-(3-acetylphenyl)octanal
CID 177486037
3-(2-methylpropyl)benzamide
CID 23130390
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[3-(diethylamino)propyl]benzamide
CID 175291972
methyl 3-(5-oxopentyl)benzoate
CID 13244315
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367

Frequently Asked Questions

What is the IUPAC name of methane;3-(3-oxopropyl)benzamide?
The IUPAC name of methane;3-(3-oxopropyl)benzamide (CID 178062718) is methane;3-(3-oxopropyl)benzamide.
What is the SMILES notation for methane;3-(3-oxopropyl)benzamide?
The canonical SMILES for methane;3-(3-oxopropyl)benzamide is C.NC(=O)c1cccc(CCC=O)c1.
What is the InChIKey of methane;3-(3-oxopropyl)benzamide?
The InChIKey is PXHLHJFUQDVOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.CH4/c11-10(13)9-5-1-3-8(7-9)4-2-6-12;/h1,3,5-7H,2,4H2,(H2,11,13);1H4.
What are the key properties of methane;3-(3-oxopropyl)benzamide?
methane;3-(3-oxopropyl)benzamide has a molecular weight of 193.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-(3-oxopropyl)benzamide is sourced from PubChem (CID 178062718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).