4-[(2S)-2-methyl-3-oxopropyl]benzamide

C11H13NO2 — CID 143055288

IUPAC4-[(2S)-2-methyl-3-oxopropyl]benzamide
SMILESC[C@H](C=O)Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H13NO2/c1-8(7-13)6-9-2-4-10(5-3-9)11(12)14/h2-5,7-8H,6H2,1H3,(H2,12,14)/t8-/m0/s1
InChIKeyQGHUJQTXIMRADQ-QMMMGPOBSA-N
MW191.23 g/mol
LogP1.16
Rot. Bonds4

About 4-[(2S)-2-methyl-3-oxopropyl]benzamide

4-[(2S)-2-methyl-3-oxopropyl]benzamide (PubChem CID 143055288) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-[(2S)-2-methyl-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-[(2S)-2-methyl-3-oxopropyl]benzamide
PubChem CID143055288
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name4-[(2S)-2-methyl-3-oxopropyl]benzamide
SMILESC[C@H](C=O)Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H13NO2/c1-8(7-13)6-9-2-4-10(5-3-9)11(12)14/h2-5,7-8H,6H2,1H3,(H2,12,14)/t8-/m0/s1
InChIKeyQGHUJQTXIMRADQ-QMMMGPOBSA-N
XLogP1.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.16
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

methyl 4-(2-methyl-3-oxopropyl)benzoate
CID 71336358
2-methyl-3-[4-[[4-(2-methylpropanoyl)phenyl]methyl]phenyl]propanal
CID 175102071
(2S)-2-methyl-3-(4-methylphenyl)propanal
CID 12936019
ethane;2-methyl-3-(4-methylphenyl)propanal
CID 142479337
2-methyl-3-(4-propan-2-ylphenyl)propanal
CID 517827
(2S)-2-methyl-3-[4-(2-phenylethyl)phenyl]propanal
CID 167484075
2-methyl-3-(4-trimethylsilylphenyl)propanal
CID 16664989
4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]benzamide
CID 166868032
4-[2-(4-carbamoylphenyl)ethyl]benzamide
CID 14507735
2-methyl-3-(4-propan-2-yloxyphenyl)propanal
CID 20575607
4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide
CID 60658050
4-[(1-phenylpropan-2-ylamino)methyl]benzamide
CID 63012099

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-methyl-3-oxopropyl]benzamide?
The IUPAC name of 4-[(2S)-2-methyl-3-oxopropyl]benzamide (CID 143055288) is 4-[(2S)-2-methyl-3-oxopropyl]benzamide.
What is the SMILES notation for 4-[(2S)-2-methyl-3-oxopropyl]benzamide?
The canonical SMILES for 4-[(2S)-2-methyl-3-oxopropyl]benzamide is C[C@H](C=O)Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(2S)-2-methyl-3-oxopropyl]benzamide?
The InChIKey is QGHUJQTXIMRADQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8(7-13)6-9-2-4-10(5-3-9)11(12)14/h2-5,7-8H,6H2,1H3,(H2,12,14)/t8-/m0/s1.
What are the key properties of 4-[(2S)-2-methyl-3-oxopropyl]benzamide?
4-[(2S)-2-methyl-3-oxopropyl]benzamide has a molecular weight of 191.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-methyl-3-oxopropyl]benzamide is sourced from PubChem (CID 143055288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).