N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzamide

C21H25NO3 — CID 33032868

IUPACN-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzamide
SMILESCOc1ccc(CN(C(=O)c2ccc(C)cc2C)C2CC2)c(OC)c1
InChIInChI=1S/C21H25NO3/c1-14-5-10-19(15(2)11-14)21(23)22(17-7-8-17)13-16-6-9-18(24-3)12-20(16)25-4/h5-6,9-12,17H,7-8,13H2,1-4H3
InChIKeyARMJLPXKCPQDEK-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.13
Rot. Bonds6

About N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzamide

N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzamide (PubChem CID 33032868) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzamide
PubChem CID33032868
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzamide
SMILESCOc1ccc(CN(C(=O)c2ccc(C)cc2C)C2CC2)c(OC)c1
InChIInChI=1S/C21H25NO3/c1-14-5-10-19(15(2)11-14)21(23)22(17-7-8-17)13-16-6-9-18(24-3)12-20(16)25-4/h5-6,9-12,17H,7-8,13H2,1-4H3
InChIKeyARMJLPXKCPQDEK-UHFFFAOYSA-N
XLogP4.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzamide
CID 32588710
N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide
CID 32588865
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2,4-difluorobenzamide
CID 33078367
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39364524
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetamide
CID 34960365
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 33078186
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 33081027
N-cyclopropyl-2,4-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 810000
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 33079090
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(trifluoromethyl)benzamide
CID 47024721
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866028

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzamide?
The IUPAC name of N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzamide (CID 33032868) is N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzamide is COc1ccc(CN(C(=O)c2ccc(C)cc2C)C2CC2)c(OC)c1.
What is the InChIKey of N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzamide?
The InChIKey is ARMJLPXKCPQDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-14-5-10-19(15(2)11-14)21(23)22(17-7-8-17)13-16-6-9-18(24-3)12-20(16)25-4/h5-6,9-12,17H,7-8,13H2,1-4H3.
What are the key properties of N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzamide?
N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 33032868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).