2-(2-methoxyphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]propanamide

C24H32N2O3 — CID 132660324

IUPAC2-(2-methoxyphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]propanamide
SMILESCOc1ccccc1OC(C)C(=O)NC(C)c1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C24H32N2O3/c1-17-13-15-26(16-14-17)21-11-9-20(10-12-21)18(2)25-24(27)19(3)29-23-8-6-5-7-22(23)28-4/h5-12,17-19H,13-16H2,1-4H3,(H,25,27)
InChIKeyJDZULWSARDUKLS-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.58
Rot. Bonds7

About 2-(2-methoxyphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]propanamide

2-(2-methoxyphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]propanamide (PubChem CID 132660324) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]propanamide
PubChem CID132660324
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-(2-methoxyphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]propanamide
SMILESCOc1ccccc1OC(C)C(=O)NC(C)c1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C24H32N2O3/c1-17-13-15-26(16-14-17)21-11-9-20(10-12-21)18(2)25-24(27)19(3)29-23-8-6-5-7-22(23)28-4/h5-12,17-19H,13-16H2,1-4H3,(H,25,27)
InChIKeyJDZULWSARDUKLS-UHFFFAOYSA-N
XLogP4.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 99132204
3-fluoro-4-methoxy-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 100614102
N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133228992
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-methylsulfanylbenzamide
CID 132655322
(2R)-2-(2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550758
2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 99994165
(2R)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-2-phenoxypropanamide
CID 95705953
2-(2-methoxyphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 133190824
2-(4-methoxyphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide
CID 48664298
1-(2-methoxyphenyl)-3-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]urea
CID 100747805
(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 125043996
1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992011

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]propanamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]propanamide (CID 132660324) is 2-(2-methoxyphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]propanamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]propanamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]propanamide is COc1ccccc1OC(C)C(=O)NC(C)c1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]propanamide?
The InChIKey is JDZULWSARDUKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-17-13-15-26(16-14-17)21-11-9-20(10-12-21)18(2)25-24(27)19(3)29-23-8-6-5-7-22(23)28-4/h5-12,17-19H,13-16H2,1-4H3,(H,25,27).
What are the key properties of 2-(2-methoxyphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]propanamide?
2-(2-methoxyphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]propanamide has a molecular weight of 396.53 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]propanamide is sourced from PubChem (CID 132660324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).