trans-(1S,2S)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide

C20H23NO4 — CID 95302224

IUPACtrans-(1S,2S)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
SMILESCOc1ccc([C@H]2C[C@@H]2C(=O)N(C)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H23NO4/c1-21(14-7-10-18(24-3)19(11-14)25-4)20(22)17-12-16(17)13-5-8-15(23-2)9-6-13/h5-11,16-17H,12H2,1-4H3/t16-,17+/m1/s1
InChIKeyIZMCMLHGJGWMTH-SJORKVTESA-N
MW341.41 g/mol
LogP3.48
Rot. Bonds6

About trans-(1S,2S)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 95302224) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is trans-(1S,2S)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
PubChem CID95302224
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Nametrans-(1S,2S)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
SMILESCOc1ccc([C@H]2C[C@@H]2C(=O)N(C)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H23NO4/c1-21(14-7-10-18(24-3)19(11-14)25-4)20(22)17-12-16(17)13-5-8-15(23-2)9-6-13/h5-11,16-17H,12H2,1-4H3/t16-,17+/m1/s1
InChIKeyIZMCMLHGJGWMTH-SJORKVTESA-N
XLogP3.48
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cis-methyl (1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 125470953
methyl (2S)-2-[[(1S,2R)-2-(2,5-dimethoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoate
CID 125140826
(3,4-dimethoxyphenyl)-methylcarbamothioic S-acid
CID 88695990
N-[4-(dimethylamino)butyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84563569
N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide
CID 86744650
(4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone
CID 14939961
(2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone
CID 114971202
(3S)-N-(3,4-dimethoxyphenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94798691
3,4-dimethoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-N-methylbenzamide
CID 71462493
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 84563591
cis-(1S,2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 95292520
N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 22347517

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide (CID 95302224) is trans-(1S,2S)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide is COc1ccc([C@H]2C[C@@H]2C(=O)N(C)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of trans-(1S,2S)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is IZMCMLHGJGWMTH-SJORKVTESA-N. The full InChI is InChI=1S/C20H23NO4/c1-21(14-7-10-18(24-3)19(11-14)25-4)20(22)17-12-16(17)13-5-8-15(23-2)9-6-13/h5-11,16-17H,12H2,1-4H3/t16-,17+/m1/s1.
What are the key properties of trans-(1S,2S)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 95302224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).