3-methoxy-2-(2-methylbutan-2-yl)benzamide

C13H19NO2 — CID 146620823

IUPAC3-methoxy-2-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)c1c(OC)cccc1C(N)=O
InChIInChI=1S/C13H19NO2/c1-5-13(2,3)11-9(12(14)15)7-6-8-10(11)16-4/h6-8H,5H2,1-4H3,(H2,14,15)
InChIKeyYHMLWAJTVZKBCG-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.48
Rot. Bonds4

About 3-methoxy-2-(2-methylbutan-2-yl)benzamide

3-methoxy-2-(2-methylbutan-2-yl)benzamide (PubChem CID 146620823) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-methoxy-2-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-2-(2-methylbutan-2-yl)benzamide
PubChem CID146620823
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-methoxy-2-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)c1c(OC)cccc1C(N)=O
InChIInChI=1S/C13H19NO2/c1-5-13(2,3)11-9(12(14)15)7-6-8-10(11)16-4/h6-8H,5H2,1-4H3,(H2,14,15)
InChIKeyYHMLWAJTVZKBCG-UHFFFAOYSA-N
XLogP2.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,3-dimethoxybenzamide
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2-ethenyl-3-methoxybenzamide
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2-amino-3-(2-methylbutan-2-yloxy)benzamide
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2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone
CID 84692542
3-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]propan-1-one
CID 117359478
2-(2,6-dimethoxyphenyl)-2-hydroxypropanediamide
CID 70450290
3-methoxy-2-methylbenzohydrazide
CID 45091273
2-tert-butyl-3-methoxybenzoyl chloride
CID 143795822
1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-1-one
CID 134627051
3-(2,6-dimethoxyphenyl)pentan-3-amine
CID 116809908
3-(4-bromohexan-3-yloxy)-2-tert-butylbenzamide
CID 175787451

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 3-methoxy-2-(2-methylbutan-2-yl)benzamide (CID 146620823) is 3-methoxy-2-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-methoxy-2-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-methoxy-2-(2-methylbutan-2-yl)benzamide is CCC(C)(C)c1c(OC)cccc1C(N)=O.
What is the InChIKey of 3-methoxy-2-(2-methylbutan-2-yl)benzamide?
The InChIKey is YHMLWAJTVZKBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-13(2,3)11-9(12(14)15)7-6-8-10(11)16-4/h6-8H,5H2,1-4H3,(H2,14,15).
What are the key properties of 3-methoxy-2-(2-methylbutan-2-yl)benzamide?
3-methoxy-2-(2-methylbutan-2-yl)benzamide has a molecular weight of 221.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 146620823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).