N-[2-(3-methoxyphenyl)ethyl]-3-(1-methylpyrrol-2-yl)propanamide

C17H22N2O2 — CID 110700679

IUPACN-[2-(3-methoxyphenyl)ethyl]-3-(1-methylpyrrol-2-yl)propanamide
SMILESCOc1cccc(CCNC(=O)CCc2cccn2C)c1
InChIInChI=1S/C17H22N2O2/c1-19-12-4-6-15(19)8-9-17(20)18-11-10-14-5-3-7-16(13-14)21-2/h3-7,12-13H,8-11H2,1-2H3,(H,18,20)
InChIKeyNJXXXYQUBMKXKN-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.33
Rot. Bonds7

About N-[2-(3-methoxyphenyl)ethyl]-3-(1-methylpyrrol-2-yl)propanamide

N-[2-(3-methoxyphenyl)ethyl]-3-(1-methylpyrrol-2-yl)propanamide (PubChem CID 110700679) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-3-(1-methylpyrrol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-3-(1-methylpyrrol-2-yl)propanamide
PubChem CID110700679
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-3-(1-methylpyrrol-2-yl)propanamide
SMILESCOc1cccc(CCNC(=O)CCc2cccn2C)c1
InChIInChI=1S/C17H22N2O2/c1-19-12-4-6-15(19)8-9-17(20)18-11-10-14-5-3-7-16(13-14)21-2/h3-7,12-13H,8-11H2,1-2H3,(H,18,20)
InChIKeyNJXXXYQUBMKXKN-UHFFFAOYSA-N
XLogP2.33
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dimethylhydrazinyl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide
CID 166390750
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
N-[2-(3-methoxyphenyl)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 78879278
N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 119549328
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 113266225
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide
CID 110389850
N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110295233
N-(2-acetamidoethyl)-3-(1-methylpyrrol-2-yl)propanamide
CID 110700711
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate
CID 86673951

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-3-(1-methylpyrrol-2-yl)propanamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-3-(1-methylpyrrol-2-yl)propanamide (CID 110700679) is N-[2-(3-methoxyphenyl)ethyl]-3-(1-methylpyrrol-2-yl)propanamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-3-(1-methylpyrrol-2-yl)propanamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-3-(1-methylpyrrol-2-yl)propanamide is COc1cccc(CCNC(=O)CCc2cccn2C)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-3-(1-methylpyrrol-2-yl)propanamide?
The InChIKey is NJXXXYQUBMKXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19-12-4-6-15(19)8-9-17(20)18-11-10-14-5-3-7-16(13-14)21-2/h3-7,12-13H,8-11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-3-(1-methylpyrrol-2-yl)propanamide?
N-[2-(3-methoxyphenyl)ethyl]-3-(1-methylpyrrol-2-yl)propanamide has a molecular weight of 286.38 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-3-(1-methylpyrrol-2-yl)propanamide is sourced from PubChem (CID 110700679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).