4-acetyl-N-(3-methylbutan-2-yl)benzamide

C14H19NO2 — CID 18712014

IUPAC4-acetyl-N-(3-methylbutan-2-yl)benzamide
SMILESCC(=O)c1ccc(C(=O)NC(C)C(C)C)cc1
InChIInChI=1S/C14H19NO2/c1-9(2)10(3)15-14(17)13-7-5-12(6-8-13)11(4)16/h5-10H,1-4H3,(H,15,17)
InChIKeyLAXXMNIKSKNMQL-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.66
Rot. Bonds4

About 4-acetyl-N-(3-methylbutan-2-yl)benzamide

4-acetyl-N-(3-methylbutan-2-yl)benzamide (PubChem CID 18712014) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-acetyl-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-acetyl-N-(3-methylbutan-2-yl)benzamide
PubChem CID18712014
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-acetyl-N-(3-methylbutan-2-yl)benzamide
SMILESCC(=O)c1ccc(C(=O)NC(C)C(C)C)cc1
InChIInChI=1S/C14H19NO2/c1-9(2)10(3)15-14(17)13-7-5-12(6-8-13)11(4)16/h5-10H,1-4H3,(H,15,17)
InChIKeyLAXXMNIKSKNMQL-UHFFFAOYSA-N
XLogP2.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-(3-methylbutan-2-yl)benzamide
CID 43084897
4-bromo-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40522020
4-chloro-N-(3-methylbutan-2-yl)benzamide
CID 4263927
N-[(2R)-3-methylbutan-2-yl]-4-nitrobenzamide
CID 92515236
N-(3-chlorobutan-2-yl)-4-methylbenzamide
CID 130948827
(2S,3S)-2-[(4-acetylbenzoyl)amino]-3-methylpentanoic acid
CID 119193795
4-(difluoromethylsulfonyl)-N-(3-methylbutan-2-yl)benzamide
CID 51153952
N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide
CID 167046854
3,5-dihydroxy-N-(3-methylbutan-2-yl)benzamide
CID 103891766
(2S)-2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119361717
2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119188047
6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 28880213

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 4-acetyl-N-(3-methylbutan-2-yl)benzamide (CID 18712014) is 4-acetyl-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-acetyl-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-acetyl-N-(3-methylbutan-2-yl)benzamide is CC(=O)c1ccc(C(=O)NC(C)C(C)C)cc1.
What is the InChIKey of 4-acetyl-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is LAXXMNIKSKNMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(2)10(3)15-14(17)13-7-5-12(6-8-13)11(4)16/h5-10H,1-4H3,(H,15,17).
What are the key properties of 4-acetyl-N-(3-methylbutan-2-yl)benzamide?
4-acetyl-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 233.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 18712014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).