N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-2-methylbenzamide

C20H23NO3 — CID 113090881

IUPACN-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-2-methylbenzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccccc3C)CC2)cc1OC
InChIInChI=1S/C20H23NO3/c1-14-6-4-5-7-16(14)19(22)21-13-20(10-11-20)15-8-9-17(23-2)18(12-15)24-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyYBHFZDACNCNANK-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.47
Rot. Bonds6

About N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-2-methylbenzamide

N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-2-methylbenzamide (PubChem CID 113090881) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-2-methylbenzamide
PubChem CID113090881
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-2-methylbenzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccccc3C)CC2)cc1OC
InChIInChI=1S/C20H23NO3/c1-14-6-4-5-7-16(14)19(22)21-13-20(10-11-20)15-8-9-17(23-2)18(12-15)24-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyYBHFZDACNCNANK-UHFFFAOYSA-N
XLogP3.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide
CID 110442796
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide
CID 112503014
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide
CID 112503018
N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide
CID 27262045
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449030
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449958
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 1149690
1-(2,3-dichlorophenyl)-3-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]urea
CID 113214892
N-[[1-(4-ethenoxy-3-methoxyphenyl)cyclopentyl]methyl]cinnoline-4-carboxamide
CID 152824249
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride
CID 119325911
N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 110445207

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-2-methylbenzamide?
The IUPAC name of N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-2-methylbenzamide (CID 113090881) is N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-2-methylbenzamide is COc1ccc(C2(CNC(=O)c3ccccc3C)CC2)cc1OC.
What is the InChIKey of N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-2-methylbenzamide?
The InChIKey is YBHFZDACNCNANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14-6-4-5-7-16(14)19(22)21-13-20(10-11-20)15-8-9-17(23-2)18(12-15)24-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,22).
What are the key properties of N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-2-methylbenzamide?
N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-2-methylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 113090881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).