3-(4-propoxyphenyl)-N-[(1-pyridin-2-ylcyclopropyl)methyl]propanamide

C21H26N2O2 — CID 86789127

IUPAC3-(4-propoxyphenyl)-N-[(1-pyridin-2-ylcyclopropyl)methyl]propanamide
SMILESCCCOc1ccc(CCC(=O)NCC2(c3ccccn3)CC2)cc1
InChIInChI=1S/C21H26N2O2/c1-2-15-25-18-9-6-17(7-10-18)8-11-20(24)23-16-21(12-13-21)19-5-3-4-14-22-19/h3-7,9-10,14H,2,8,11-13,15-16H2,1H3,(H,23,24)
InChIKeyODZSYXANXCGHBR-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.65
Rot. Bonds9

About 3-(4-propoxyphenyl)-N-[(1-pyridin-2-ylcyclopropyl)methyl]propanamide

3-(4-propoxyphenyl)-N-[(1-pyridin-2-ylcyclopropyl)methyl]propanamide (PubChem CID 86789127) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(4-propoxyphenyl)-N-[(1-pyridin-2-ylcyclopropyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-propoxyphenyl)-N-[(1-pyridin-2-ylcyclopropyl)methyl]propanamide
PubChem CID86789127
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-(4-propoxyphenyl)-N-[(1-pyridin-2-ylcyclopropyl)methyl]propanamide
SMILESCCCOc1ccc(CCC(=O)NCC2(c3ccccn3)CC2)cc1
InChIInChI=1S/C21H26N2O2/c1-2-15-25-18-9-6-17(7-10-18)8-11-20(24)23-16-21(12-13-21)19-5-3-4-14-22-19/h3-7,9-10,14H,2,8,11-13,15-16H2,1H3,(H,23,24)
InChIKeyODZSYXANXCGHBR-UHFFFAOYSA-N
XLogP3.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-propoxyphenyl)propanamide
CID 120891684
4-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]butanamide
CID 110479887
N-[2-(methylamino)ethyl]-3-(4-propoxyphenyl)propanamide
CID 119502671
6-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]hexanamide
CID 110482606
N-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119497823
3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide
CID 110477352
3-(4-butoxyphenyl)-1-pyridin-2-ylpropan-1-one
CID 82185267
methyl 3-(4-propoxyphenyl)propanoate
CID 22949961
2-(4-propoxyphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 35750358
N-[[1-(phenoxymethyl)cyclopropyl]methyl]-3-pyridin-4-ylpropanamide
CID 118782174
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 120944783
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315

Frequently Asked Questions

What is the IUPAC name of 3-(4-propoxyphenyl)-N-[(1-pyridin-2-ylcyclopropyl)methyl]propanamide?
The IUPAC name of 3-(4-propoxyphenyl)-N-[(1-pyridin-2-ylcyclopropyl)methyl]propanamide (CID 86789127) is 3-(4-propoxyphenyl)-N-[(1-pyridin-2-ylcyclopropyl)methyl]propanamide.
What is the SMILES notation for 3-(4-propoxyphenyl)-N-[(1-pyridin-2-ylcyclopropyl)methyl]propanamide?
The canonical SMILES for 3-(4-propoxyphenyl)-N-[(1-pyridin-2-ylcyclopropyl)methyl]propanamide is CCCOc1ccc(CCC(=O)NCC2(c3ccccn3)CC2)cc1.
What is the InChIKey of 3-(4-propoxyphenyl)-N-[(1-pyridin-2-ylcyclopropyl)methyl]propanamide?
The InChIKey is ODZSYXANXCGHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-15-25-18-9-6-17(7-10-18)8-11-20(24)23-16-21(12-13-21)19-5-3-4-14-22-19/h3-7,9-10,14H,2,8,11-13,15-16H2,1H3,(H,23,24).
What are the key properties of 3-(4-propoxyphenyl)-N-[(1-pyridin-2-ylcyclopropyl)methyl]propanamide?
3-(4-propoxyphenyl)-N-[(1-pyridin-2-ylcyclopropyl)methyl]propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propoxyphenyl)-N-[(1-pyridin-2-ylcyclopropyl)methyl]propanamide is sourced from PubChem (CID 86789127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).