N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methyl-4-pyridinyl)benzamide

C22H22N2O2 — CID 68512374

IUPACN-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methyl-4-pyridinyl)benzamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccnc(C)c3)cc2)c1
InChIInChI=1S/C22H22N2O2/c1-15-13-20(11-12-23-15)17-7-9-18(10-8-17)22(25)24-16(2)19-5-4-6-21(14-19)26-3/h4-14,16H,1-3H3,(H,24,25)/t16-/m1/s1
InChIKeyMTUNWFCHOBAQCN-MRXNPFEDSA-N
MW346.43 g/mol
LogP4.56
Rot. Bonds5

About N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methyl-4-pyridinyl)benzamide

N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methyl-4-pyridinyl)benzamide (PubChem CID 68512374) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methyl-4-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methyl-4-pyridinyl)benzamide
PubChem CID68512374
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methyl-4-pyridinyl)benzamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccnc(C)c3)cc2)c1
InChIInChI=1S/C22H22N2O2/c1-15-13-20(11-12-23-15)17-7-9-18(10-8-17)22(25)24-16(2)19-5-4-6-21(14-19)26-3/h4-14,16H,1-3H3,(H,24,25)/t16-/m1/s1
InChIKeyMTUNWFCHOBAQCN-MRXNPFEDSA-N
XLogP4.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methyl-4-pyridinyl)benzamide?
The IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methyl-4-pyridinyl)benzamide (CID 68512374) is N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methyl-4-pyridinyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methyl-4-pyridinyl)benzamide?
The canonical SMILES for N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methyl-4-pyridinyl)benzamide is COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccnc(C)c3)cc2)c1.
What is the InChIKey of N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methyl-4-pyridinyl)benzamide?
The InChIKey is MTUNWFCHOBAQCN-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15-13-20(11-12-23-15)17-7-9-18(10-8-17)22(25)24-16(2)19-5-4-6-21(14-19)26-3/h4-14,16H,1-3H3,(H,24,25)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methyl-4-pyridinyl)benzamide?
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methyl-4-pyridinyl)benzamide has a molecular weight of 346.43 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methyl-4-pyridinyl)benzamide is sourced from PubChem (CID 68512374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).