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

C25H26N2O4 — CID 118716941

IUPACcis-(1R,2S)-2-[[3-methoxy-4-(methoxymethyl)phenoxy]methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide
SMILESCOCc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1OC
InChIInChI=1S/C25H26N2O4/c1-29-16-18-11-12-20(14-22(18)30-2)31-17-25(19-8-4-3-5-9-19)15-21(25)24(28)27-23-10-6-7-13-26-23/h3-14,21H,15-17H2,1-2H3,(H,26,27,28)/t21-,25+/m0/s1
InChIKeyMOZLNDFIHAJQOG-SQJMNOBHSA-N
MW418.49 g/mol
LogP4.21
Rot. Bonds9

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

cis-(1R,2S)-2-[[3-methoxy-4-(methoxymethyl)phenoxy]methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide (PubChem CID 118716941) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[3-methoxy-4-(methoxymethyl)phenoxy]methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[3-methoxy-4-(methoxymethyl)phenoxy]methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide
PubChem CID118716941
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Namecis-(1R,2S)-2-[[3-methoxy-4-(methoxymethyl)phenoxy]methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide
SMILESCOCc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1OC
InChIInChI=1S/C25H26N2O4/c1-29-16-18-11-12-20(14-22(18)30-2)31-17-25(19-8-4-3-5-9-19)15-21(25)24(28)27-23-10-6-7-13-26-23/h3-14,21H,15-17H2,1-2H3,(H,26,27,28)/t21-,25+/m0/s1
InChIKeyMOZLNDFIHAJQOG-SQJMNOBHSA-N
XLogP4.21
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.21
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-methoxy-4-(methoxymethyl)phenoxy]methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-[[3-methoxy-4-(methoxymethyl)phenoxy]methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide (CID 118716941) is cis-(1R,2S)-2-[[3-methoxy-4-(methoxymethyl)phenoxy]methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-[[3-methoxy-4-(methoxymethyl)phenoxy]methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-[[3-methoxy-4-(methoxymethyl)phenoxy]methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide is COCc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1OC.
What is the InChIKey of cis-(1R,2S)-2-[[3-methoxy-4-(methoxymethyl)phenoxy]methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide?
The InChIKey is MOZLNDFIHAJQOG-SQJMNOBHSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-29-16-18-11-12-20(14-22(18)30-2)31-17-25(19-8-4-3-5-9-19)15-21(25)24(28)27-23-10-6-7-13-26-23/h3-14,21H,15-17H2,1-2H3,(H,26,27,28)/t21-,25+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[[3-methoxy-4-(methoxymethyl)phenoxy]methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide?
cis-(1R,2S)-2-[[3-methoxy-4-(methoxymethyl)phenoxy]methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 4.21, 9 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-methoxy-4-(methoxymethyl)phenoxy]methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 118716941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).