N-(2,4-dimethylpent-4-enoyl)benzamide

C14H17NO2 — CID 15864898

IUPACN-(2,4-dimethylpent-4-enoyl)benzamide
SMILESC=C(C)CC(C)C(=O)NC(=O)c1ccccc1
InChIInChI=1S/C14H17NO2/c1-10(2)9-11(3)13(16)15-14(17)12-7-5-4-6-8-12/h4-8,11H,1,9H2,2-3H3,(H,15,16,17)
InChIKeyQRPXCIABEYCABW-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.55
Rot. Bonds4

About N-(2,4-dimethylpent-4-enoyl)benzamide

N-(2,4-dimethylpent-4-enoyl)benzamide (PubChem CID 15864898) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-(2,4-dimethylpent-4-enoyl)benzamide.

Molecular Properties

Compound NameN-(2,4-dimethylpent-4-enoyl)benzamide
PubChem CID15864898
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC NameN-(2,4-dimethylpent-4-enoyl)benzamide
SMILESC=C(C)CC(C)C(=O)NC(=O)c1ccccc1
InChIInChI=1S/C14H17NO2/c1-10(2)9-11(3)13(16)15-14(17)12-7-5-4-6-8-12/h4-8,11H,1,9H2,2-3H3,(H,15,16,17)
InChIKeyQRPXCIABEYCABW-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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

(2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide
CID 135041041
methyl 2-benzamido-4-methylpent-4-enoate
CID 14493675
(1-benzamido-1-oxopropan-2-yl) 2-methylprop-2-enoate
CID 134463310
4-(2,4-dimethylpent-4-enoylamino)-4-phenylbutanoic acid
CID 120686341
2-chloro-4-methyl-1-phenylpent-4-en-1-one
CID 14508132
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
N-[(Z)-4-methylpentan-2-ylideneamino]benzamide
CID 6030985
ethane;N-methylbenzamide;2-methylpropane
CID 161462553
(2S)-N-[[1-[(R)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-2,4-dimethylpent-4-enamide
CID 99784868
N-(propan-2-ylcarbamoyl)benzamide
CID 2986554
N-methylbenzamide
CID 11954
3-[4-(2,4-dimethylpent-4-enoylamino)phenyl]-2-methylpropanoic acid
CID 120690043

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpent-4-enoyl)benzamide?
The IUPAC name of N-(2,4-dimethylpent-4-enoyl)benzamide (CID 15864898) is N-(2,4-dimethylpent-4-enoyl)benzamide.
What is the SMILES notation for N-(2,4-dimethylpent-4-enoyl)benzamide?
The canonical SMILES for N-(2,4-dimethylpent-4-enoyl)benzamide is C=C(C)CC(C)C(=O)NC(=O)c1ccccc1.
What is the InChIKey of N-(2,4-dimethylpent-4-enoyl)benzamide?
The InChIKey is QRPXCIABEYCABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(2)9-11(3)13(16)15-14(17)12-7-5-4-6-8-12/h4-8,11H,1,9H2,2-3H3,(H,15,16,17).
What are the key properties of N-(2,4-dimethylpent-4-enoyl)benzamide?
N-(2,4-dimethylpent-4-enoyl)benzamide has a molecular weight of 231.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpent-4-enoyl)benzamide is sourced from PubChem (CID 15864898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).