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

C23H22N2O3 — CID 118716938

IUPACcis-(1R,2S)-2-[(4-methoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide
SMILESCOc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C23H22N2O3/c1-27-18-10-12-19(13-11-18)28-16-23(17-7-3-2-4-8-17)15-20(23)22(26)25-21-9-5-6-14-24-21/h2-14,20H,15-16H2,1H3,(H,24,25,26)/t20-,23+/m0/s1
InChIKeyZMDBQSBHZXOCQT-NZQKXSOJSA-N
MW374.44 g/mol
LogP4.07
Rot. Bonds7

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

cis-(1R,2S)-2-[(4-methoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide (PubChem CID 118716938) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(4-methoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(4-methoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide
PubChem CID118716938
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Namecis-(1R,2S)-2-[(4-methoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide
SMILESCOc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C23H22N2O3/c1-27-18-10-12-19(13-11-18)28-16-23(17-7-3-2-4-8-17)15-20(23)22(26)25-21-9-5-6-14-24-21/h2-14,20H,15-16H2,1H3,(H,24,25,26)/t20-,23+/m0/s1
InChIKeyZMDBQSBHZXOCQT-NZQKXSOJSA-N
XLogP4.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(4-methoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-[(4-methoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide (CID 118716938) is cis-(1R,2S)-2-[(4-methoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-[(4-methoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-[(4-methoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide is COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1.
What is the InChIKey of cis-(1R,2S)-2-[(4-methoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide?
The InChIKey is ZMDBQSBHZXOCQT-NZQKXSOJSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-27-18-10-12-19(13-11-18)28-16-23(17-7-3-2-4-8-17)15-20(23)22(26)25-21-9-5-6-14-24-21/h2-14,20H,15-16H2,1H3,(H,24,25,26)/t20-,23+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(4-methoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide?
cis-(1R,2S)-2-[(4-methoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(4-methoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 118716938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).