4-methyl-N-[(2S)-2-methylpent-4-enoyl]benzamide

C14H17NO2 — CID 102237879

IUPAC4-methyl-N-[(2S)-2-methylpent-4-enoyl]benzamide
SMILESC=CC[C@H](C)C(=O)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C14H17NO2/c1-4-5-11(3)13(16)15-14(17)12-8-6-10(2)7-9-12/h4,6-9,11H,1,5H2,2-3H3,(H,15,16,17)/t11-/m0/s1
InChIKeyPVOBWLSURXWYND-NSHDSACASA-N
MW231.29 g/mol
LogP2.46
Rot. Bonds4

About 4-methyl-N-[(2S)-2-methylpent-4-enoyl]benzamide

4-methyl-N-[(2S)-2-methylpent-4-enoyl]benzamide (PubChem CID 102237879) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-2-methylpent-4-enoyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(2S)-2-methylpent-4-enoyl]benzamide
PubChem CID102237879
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name4-methyl-N-[(2S)-2-methylpent-4-enoyl]benzamide
SMILESC=CC[C@H](C)C(=O)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C14H17NO2/c1-4-5-11(3)13(16)15-14(17)12-8-6-10(2)7-9-12/h4,6-9,11H,1,5H2,2-3H3,(H,15,16,17)/t11-/m0/s1
InChIKeyPVOBWLSURXWYND-NSHDSACASA-N
XLogP2.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-methylbenzoyl)carbamic acid
CID 89120559
N-ethenyl-4-methylbenzamide
CID 22624715
N-(1-hydroxyethylcarbamoyl)-4-methylbenzamide
CID 140968714
N-[2-(but-3-en-2-ylamino)ethyl]-4-methylbenzamide
CID 114014543
4-methyl-N-[(4-methylbenzoyl)carbamothioyl]benzamide
CID 22071974
N-(2,4-dimethylpent-4-enoyl)benzamide
CID 15864898
4-fluoro-N-pent-4-en-2-ylbenzamide
CID 115631330
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
N-[2-(2-chloropropanoylamino)ethyl]-4-methylbenzamide
CID 54880790
ethane;4-methylbenzohydrazide
CID 143952809
N-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]-4-methylbenzamide
CID 62854007
N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide
CID 167046854

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-2-methylpent-4-enoyl]benzamide?
The IUPAC name of 4-methyl-N-[(2S)-2-methylpent-4-enoyl]benzamide (CID 102237879) is 4-methyl-N-[(2S)-2-methylpent-4-enoyl]benzamide.
What is the SMILES notation for 4-methyl-N-[(2S)-2-methylpent-4-enoyl]benzamide?
The canonical SMILES for 4-methyl-N-[(2S)-2-methylpent-4-enoyl]benzamide is C=CC[C@H](C)C(=O)NC(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(2S)-2-methylpent-4-enoyl]benzamide?
The InChIKey is PVOBWLSURXWYND-NSHDSACASA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-5-11(3)13(16)15-14(17)12-8-6-10(2)7-9-12/h4,6-9,11H,1,5H2,2-3H3,(H,15,16,17)/t11-/m0/s1.
What are the key properties of 4-methyl-N-[(2S)-2-methylpent-4-enoyl]benzamide?
4-methyl-N-[(2S)-2-methylpent-4-enoyl]benzamide has a molecular weight of 231.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S)-2-methylpent-4-enoyl]benzamide is sourced from PubChem (CID 102237879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).