4-(3-methoxyanilino)-3-methyl-N-(3-methylbutyl)benzamide

C20H26N2O2 — CID 58173078

IUPAC4-(3-methoxyanilino)-3-methyl-N-(3-methylbutyl)benzamide
SMILESCOc1cccc(Nc2ccc(C(=O)NCCC(C)C)cc2C)c1
InChIInChI=1S/C20H26N2O2/c1-14(2)10-11-21-20(23)16-8-9-19(15(3)12-16)22-17-6-5-7-18(13-17)24-4/h5-9,12-14,22H,10-11H2,1-4H3,(H,21,23)
InChIKeyWDKHNFWZQCZFNF-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.52
Rot. Bonds7

About 4-(3-methoxyanilino)-3-methyl-N-(3-methylbutyl)benzamide

4-(3-methoxyanilino)-3-methyl-N-(3-methylbutyl)benzamide (PubChem CID 58173078) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-3-methyl-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-(3-methoxyanilino)-3-methyl-N-(3-methylbutyl)benzamide
PubChem CID58173078
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name4-(3-methoxyanilino)-3-methyl-N-(3-methylbutyl)benzamide
SMILESCOc1cccc(Nc2ccc(C(=O)NCCC(C)C)cc2C)c1
InChIInChI=1S/C20H26N2O2/c1-14(2)10-11-21-20(23)16-8-9-19(15(3)12-16)22-17-6-5-7-18(13-17)24-4/h5-9,12-14,22H,10-11H2,1-4H3,(H,21,23)
InChIKeyWDKHNFWZQCZFNF-UHFFFAOYSA-N
XLogP4.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195545
3-methyl-N-(3-methylbutyl)-4-[2-(trifluoromethoxy)anilino]benzamide
CID 70810503
4-chloro-3-[(3-methoxybenzoyl)amino]-N-(3-methylbutyl)benzamide
CID 1228530
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055482
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide
CID 43112828
4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide
CID 58173024
N-[2-(3-methoxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27167538
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
4-fluoro-3-methyl-N-(3-methylbutyl)benzamide
CID 63212522
4-(3-ethoxyanilino)-3-methylbenzoic acid
CID 63212509
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-3-methyl-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-(3-methoxyanilino)-3-methyl-N-(3-methylbutyl)benzamide (CID 58173078) is 4-(3-methoxyanilino)-3-methyl-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-(3-methoxyanilino)-3-methyl-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-(3-methoxyanilino)-3-methyl-N-(3-methylbutyl)benzamide is COc1cccc(Nc2ccc(C(=O)NCCC(C)C)cc2C)c1.
What is the InChIKey of 4-(3-methoxyanilino)-3-methyl-N-(3-methylbutyl)benzamide?
The InChIKey is WDKHNFWZQCZFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14(2)10-11-21-20(23)16-8-9-19(15(3)12-16)22-17-6-5-7-18(13-17)24-4/h5-9,12-14,22H,10-11H2,1-4H3,(H,21,23).
What are the key properties of 4-(3-methoxyanilino)-3-methyl-N-(3-methylbutyl)benzamide?
4-(3-methoxyanilino)-3-methyl-N-(3-methylbutyl)benzamide has a molecular weight of 326.44 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-3-methyl-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 58173078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).