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

C13H19NO2 — CID 5204623

IUPAC3-methoxy-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1cccc(OC)c1
InChIInChI=1S/C13H19NO2/c1-5-13(2,3)14-12(15)10-7-6-8-11(9-10)16-4/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyPTUOULXIBUKGSG-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.61
Rot. Bonds4

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

3-methoxy-N-(2-methylbutan-2-yl)benzamide (PubChem CID 5204623) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-methoxy-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(2-methylbutan-2-yl)benzamide
PubChem CID5204623
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-methoxy-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1cccc(OC)c1
InChIInChI=1S/C13H19NO2/c1-5-13(2,3)14-12(15)10-7-6-8-11(9-10)16-4/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyPTUOULXIBUKGSG-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-N-(2-methylbutan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 78985037
3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide
CID 3297993
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methoxybenzamide
CID 61120038
2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 119181827
N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-methoxybenzamide
CID 39963760
N-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide
CID 17309747
3-methoxy-N-(2,4,4-trimethylhexyl)benzamide
CID 134270761
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
2-(ethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one
CID 116566096
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-(1-bromo-2-methylpropan-2-yl)-3-(difluoromethoxy)benzamide
CID 114308024
3-methoxy-N-[4-(propylamino)phenyl]benzamide
CID 112979702

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 3-methoxy-N-(2-methylbutan-2-yl)benzamide (CID 5204623) is 3-methoxy-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1cccc(OC)c1.
What is the InChIKey of 3-methoxy-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is PTUOULXIBUKGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-13(2,3)14-12(15)10-7-6-8-11(9-10)16-4/h6-9H,5H2,1-4H3,(H,14,15).
What are the key properties of 3-methoxy-N-(2-methylbutan-2-yl)benzamide?
3-methoxy-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 221.30 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 5204623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).