cis-(1R,2S)-N-phenyl-2-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide

C19H21NO4 — CID 44582307

IUPACcis-(1R,2S)-N-phenyl-2-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1cc([C@H]2C[C@H]2C(=O)Nc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C19H21NO4/c1-22-16-9-12(10-17(23-2)18(16)24-3)14-11-15(14)19(21)20-13-7-5-4-6-8-13/h4-10,14-15H,11H2,1-3H3,(H,20,21)/t14-,15-/m1/s1
InChIKeyTVQAOGAYUMVKHD-HUUCEWRRSA-N
MW327.38 g/mol
LogP3.45
Rot. Bonds6

About cis-(1R,2S)-N-phenyl-2-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide

cis-(1R,2S)-N-phenyl-2-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 44582307) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is cis-(1R,2S)-N-phenyl-2-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-phenyl-2-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
PubChem CID44582307
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namecis-(1R,2S)-N-phenyl-2-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1cc([C@H]2C[C@H]2C(=O)Nc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C19H21NO4/c1-22-16-9-12(10-17(23-2)18(16)24-3)14-11-15(14)19(21)20-13-7-5-4-6-8-13/h4-10,14-15H,11H2,1-3H3,(H,20,21)/t14-,15-/m1/s1
InChIKeyTVQAOGAYUMVKHD-HUUCEWRRSA-N
XLogP3.45
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-phenyl-2-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-phenyl-2-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide (CID 44582307) is cis-(1R,2S)-N-phenyl-2-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-phenyl-2-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-phenyl-2-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide is COc1cc([C@H]2C[C@H]2C(=O)Nc2ccccc2)cc(OC)c1OC.
What is the InChIKey of cis-(1R,2S)-N-phenyl-2-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is TVQAOGAYUMVKHD-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H21NO4/c1-22-16-9-12(10-17(23-2)18(16)24-3)14-11-15(14)19(21)20-13-7-5-4-6-8-13/h4-10,14-15H,11H2,1-3H3,(H,20,21)/t14-,15-/m1/s1.
What are the key properties of cis-(1R,2S)-N-phenyl-2-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-N-phenyl-2-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-phenyl-2-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 44582307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).