N-[1-(3,4-dimethoxyphenyl)cyclopropyl]-2-(4-methylphenyl)acetamide

C20H23NO3 — CID 113091414

IUPACN-[1-(3,4-dimethoxyphenyl)cyclopropyl]-2-(4-methylphenyl)acetamide
SMILESCOc1ccc(C2(NC(=O)Cc3ccc(C)cc3)CC2)cc1OC
InChIInChI=1S/C20H23NO3/c1-14-4-6-15(7-5-14)12-19(22)21-20(10-11-20)16-8-9-17(23-2)18(13-16)24-3/h4-9,13H,10-12H2,1-3H3,(H,21,22)
InChIKeyJUWOOSLPFRLTPM-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.36
Rot. Bonds6

About N-[1-(3,4-dimethoxyphenyl)cyclopropyl]-2-(4-methylphenyl)acetamide

N-[1-(3,4-dimethoxyphenyl)cyclopropyl]-2-(4-methylphenyl)acetamide (PubChem CID 113091414) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)cyclopropyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)cyclopropyl]-2-(4-methylphenyl)acetamide
PubChem CID113091414
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[1-(3,4-dimethoxyphenyl)cyclopropyl]-2-(4-methylphenyl)acetamide
SMILESCOc1ccc(C2(NC(=O)Cc3ccc(C)cc3)CC2)cc1OC
InChIInChI=1S/C20H23NO3/c1-14-4-6-15(7-5-14)12-19(22)21-20(10-11-20)16-8-9-17(23-2)18(13-16)24-3/h4-9,13H,10-12H2,1-3H3,(H,21,22)
InChIKeyJUWOOSLPFRLTPM-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)cyclopropyl]pentanamide
CID 110479476
1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-[(2-fluorophenyl)methyl]urea
CID 113215777
2-(3,4-dimethoxyphenyl)-N-[N'-[(2R)-4-methylpentan-2-yl]carbamimidoyl]acetamide;[1-(4-fluoro-3-methoxyphenyl)cyclopropyl]carbamic acid
CID 90285611
3-(3,4-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide
CID 51264432
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 1149690
1-[[2-(4-methylphenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 43341572
1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-(3-fluorophenyl)urea
CID 113215891
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112994021
1-(2,3-dichlorophenyl)-3-[1-(3,4-dimethoxyphenyl)cyclopropyl]urea
CID 113215905
N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113043378
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide
CID 113090752

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)cyclopropyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)cyclopropyl]-2-(4-methylphenyl)acetamide (CID 113091414) is N-[1-(3,4-dimethoxyphenyl)cyclopropyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)cyclopropyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)cyclopropyl]-2-(4-methylphenyl)acetamide is COc1ccc(C2(NC(=O)Cc3ccc(C)cc3)CC2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)cyclopropyl]-2-(4-methylphenyl)acetamide?
The InChIKey is JUWOOSLPFRLTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14-4-6-15(7-5-14)12-19(22)21-20(10-11-20)16-8-9-17(23-2)18(13-16)24-3/h4-9,13H,10-12H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)cyclopropyl]-2-(4-methylphenyl)acetamide?
N-[1-(3,4-dimethoxyphenyl)cyclopropyl]-2-(4-methylphenyl)acetamide has a molecular weight of 325.41 g/mol, XLogP of 3.36, 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]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 113091414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).