3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide

C16H25NO — CID 102915094

IUPAC3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
SMILESCc1cccc(C(=O)NCC(C(C)C)C(C)C)c1
InChIInChI=1S/C16H25NO/c1-11(2)15(12(3)4)10-17-16(18)14-8-6-7-13(5)9-14/h6-9,11-12,15H,10H2,1-5H3,(H,17,18)
InChIKeyIIVRZFRFZKVCDR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.65
Rot. Bonds5

About 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide

3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide (PubChem CID 102915094) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
PubChem CID102915094
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
SMILESCc1cccc(C(=O)NCC(C(C)C)C(C)C)c1
InChIInChI=1S/C16H25NO/c1-11(2)15(12(3)4)10-17-16(18)14-8-6-7-13(5)9-14/h6-9,11-12,15H,10H2,1-5H3,(H,17,18)
InChIKeyIIVRZFRFZKVCDR-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-(2-methylpropyl)benzamide
CID 835315
N-(2-bromopropyl)-3-methylbenzamide
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CID 63733332
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
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3-cyano-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906072
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide
CID 62666890
methyl 2-iodo-3-[(3-methylbenzoyl)amino]propanoate
CID 103493403
3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906385
3-methyl-N-(3-methylbutan-2-yl)benzamide
CID 18712138
3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537
N-(2-amino-3-ethylpentyl)-3-methylbenzamide
CID 106286438
2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-carboxamide
CID 106753359

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The IUPAC name of 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide (CID 102915094) is 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide.
What is the SMILES notation for 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The canonical SMILES for 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide is Cc1cccc(C(=O)NCC(C(C)C)C(C)C)c1.
What is the InChIKey of 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The InChIKey is IIVRZFRFZKVCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)15(12(3)4)10-17-16(18)14-8-6-7-13(5)9-14/h6-9,11-12,15H,10H2,1-5H3,(H,17,18).
What are the key properties of 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide has a molecular weight of 247.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide is sourced from PubChem (CID 102915094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).