N-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide

C20H21NO4 — CID 110438984

IUPACN-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1OC
InChIInChI=1S/C20H21NO4/c1-13(22)14-4-7-16(8-5-14)21-19(23)20(10-11-20)15-6-9-17(24-2)18(12-15)25-3/h4-9,12H,10-11H2,1-3H3,(H,21,23)
InChIKeyILDGGAVVAZGNIO-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.58
Rot. Bonds6

About N-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide

N-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 110438984) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
PubChem CID110438984
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC NameN-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1OC
InChIInChI=1S/C20H21NO4/c1-13(22)14-4-7-16(8-5-14)21-19(23)20(10-11-20)15-6-9-17(24-2)18(12-15)25-3/h4-9,12H,10-11H2,1-3H3,(H,21,23)
InChIKeyILDGGAVVAZGNIO-UHFFFAOYSA-N
XLogP3.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[1-(3,4-dimethoxyphenyl)cyclopentanecarbonyl]amino]benzoate
CID 1147522
N-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)oxane-4-carboxamide
CID 29134635
N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1329491
1-(3,4-dimethoxyphenyl)-N-(1H-indazol-6-yl)cyclopropane-1-carboxamide
CID 110438991
1-(3,4-dimethoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclopropane-1-carboxamide
CID 90958377
N-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 110439004
N-(4-acetylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439041
1-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 1234744
N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 2014049
N-(2,5-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 110439005
1-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]ethanone
CID 115576828
2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143693

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide (CID 110438984) is N-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide is COc1ccc(C2(C(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1OC.
What is the InChIKey of N-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is ILDGGAVVAZGNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-13(22)14-4-7-16(8-5-14)21-19(23)20(10-11-20)15-6-9-17(24-2)18(12-15)25-3/h4-9,12H,10-11H2,1-3H3,(H,21,23).
What are the key properties of N-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide?
N-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110438984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).