cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide

C24H24N2O4 — CID 67980666

IUPACcis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide
SMILESCOc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1OC
InChIInChI=1S/C24H24N2O4/c1-28-20-12-11-18(14-21(20)29-2)30-16-24(17-8-4-3-5-9-17)15-19(24)23(27)26-22-10-6-7-13-25-22/h3-14,19H,15-16H2,1-2H3,(H,25,26,27)/t19-,24+/m0/s1
InChIKeyGVDMITGOTSRFKD-YADARESESA-N
MW404.47 g/mol
LogP4.07
Rot. Bonds8

About cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide

cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide (PubChem CID 67980666) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide
PubChem CID67980666
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Namecis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide
SMILESCOc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1OC
InChIInChI=1S/C24H24N2O4/c1-28-20-12-11-18(14-21(20)29-2)30-16-24(17-8-4-3-5-9-17)15-19(24)23(27)26-22-10-6-7-13-25-22/h3-14,19H,15-16H2,1-2H3,(H,25,26,27)/t19-,24+/m0/s1
InChIKeyGVDMITGOTSRFKD-YADARESESA-N
XLogP4.07
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide (CID 67980666) is cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide is COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1OC.
What is the InChIKey of cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide?
The InChIKey is GVDMITGOTSRFKD-YADARESESA-N. The full InChI is InChI=1S/C24H24N2O4/c1-28-20-12-11-18(14-21(20)29-2)30-16-24(17-8-4-3-5-9-17)15-19(24)23(27)26-22-10-6-7-13-25-22/h3-14,19H,15-16H2,1-2H3,(H,25,26,27)/t19-,24+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide?
cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 67980666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).