3-(4-methoxyphenyl)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]propanamide

C23H24N2O2 — CID 58739189

IUPAC3-(4-methoxyphenyl)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]propanamide
SMILESCOc1ccc(CCC(=O)N[C@@H](C)c2cccc(-c3cccnc3)c2)cc1
InChIInChI=1S/C23H24N2O2/c1-17(19-5-3-6-20(15-19)21-7-4-14-24-16-21)25-23(26)13-10-18-8-11-22(27-2)12-9-18/h3-9,11-12,14-17H,10,13H2,1-2H3,(H,25,26)/t17-/m0/s1
InChIKeyNSSJHTPFUUNCLO-KRWDZBQOSA-N
MW360.46 g/mol
LogP4.57
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]propanamide

3-(4-methoxyphenyl)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]propanamide (PubChem CID 58739189) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]propanamide
PubChem CID58739189
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name3-(4-methoxyphenyl)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]propanamide
SMILESCOc1ccc(CCC(=O)N[C@@H](C)c2cccc(-c3cccnc3)c2)cc1
InChIInChI=1S/C23H24N2O2/c1-17(19-5-3-6-20(15-19)21-7-4-14-24-16-21)25-23(26)13-10-18-8-11-22(27-2)12-9-18/h3-9,11-12,14-17H,10,13H2,1-2H3,(H,25,26)/t17-/m0/s1
InChIKeyNSSJHTPFUUNCLO-KRWDZBQOSA-N
XLogP4.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 42563582
5-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]pentanamide
CID 94661779
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 99643562
4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide
CID 51193160
3-(4-methoxyphenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 31442688
2-methyl-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pentanamide
CID 58739161
2-(4-methoxyphenyl)-N-[(1R)-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)ethyl]acetamide
CID 135963448
3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide
CID 122560537
3-(3-chloro-4-methylphenyl)-N-(1-pyridin-3-ylethyl)propanamide
CID 24642247
3-(3-chloro-4-methylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 30537602
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
N-[1-(3-bromophenyl)ethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55625576

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]propanamide (CID 58739189) is 3-(4-methoxyphenyl)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]propanamide is COc1ccc(CCC(=O)N[C@@H](C)c2cccc(-c3cccnc3)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]propanamide?
The InChIKey is NSSJHTPFUUNCLO-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-17(19-5-3-6-20(15-19)21-7-4-14-24-16-21)25-23(26)13-10-18-8-11-22(27-2)12-9-18/h3-9,11-12,14-17H,10,13H2,1-2H3,(H,25,26)/t17-/m0/s1.
What are the key properties of 3-(4-methoxyphenyl)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]propanamide?
3-(4-methoxyphenyl)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]propanamide has a molecular weight of 360.46 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 58739189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).