N-[2-[2-(3,4-dimethoxyphenyl)pyrrol-1-yl]ethyl]acetamide

C16H20N2O3 — CID 19095412

IUPACN-[2-[2-(3,4-dimethoxyphenyl)pyrrol-1-yl]ethyl]acetamide
SMILESCOc1ccc(-c2cccn2CCNC(C)=O)cc1OC
InChIInChI=1S/C16H20N2O3/c1-12(19)17-8-10-18-9-4-5-14(18)13-6-7-15(20-2)16(11-13)21-3/h4-7,9,11H,8,10H2,1-3H3,(H,17,19)
InChIKeyNFOVPSZUBLGLHO-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.31
Rot. Bonds6

About N-[2-[2-(3,4-dimethoxyphenyl)pyrrol-1-yl]ethyl]acetamide

N-[2-[2-(3,4-dimethoxyphenyl)pyrrol-1-yl]ethyl]acetamide (PubChem CID 19095412) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-[2-(3,4-dimethoxyphenyl)pyrrol-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(3,4-dimethoxyphenyl)pyrrol-1-yl]ethyl]acetamide
PubChem CID19095412
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[2-[2-(3,4-dimethoxyphenyl)pyrrol-1-yl]ethyl]acetamide
SMILESCOc1ccc(-c2cccn2CCNC(C)=O)cc1OC
InChIInChI=1S/C16H20N2O3/c1-12(19)17-8-10-18-9-4-5-14(18)13-6-7-15(20-2)16(11-13)21-3/h4-7,9,11H,8,10H2,1-3H3,(H,17,19)
InChIKeyNFOVPSZUBLGLHO-UHFFFAOYSA-N
XLogP2.31
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]acetamide
CID 8871922
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716250
N'-(2-acetamidoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108506297
N-(4-acetamidobutyl)-2-methoxy-5-phenylbenzamide
CID 110609817
N-(3-acetamidopropyl)-2-methoxy-5-phenylbenzamide
CID 110630734
N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]acetamide
CID 52918077
N-[2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
CID 82314341
3,4-dimethoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538642
N-[2-[(2R,3E)-2-(3,4-dimethoxyphenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]ethyl]acetamide
CID 98315074
N-[(2,6-dimethoxyphenyl)methyl]acetamide
CID 18718180
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]ethanone
CID 82130829

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)pyrrol-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)pyrrol-1-yl]ethyl]acetamide (CID 19095412) is N-[2-[2-(3,4-dimethoxyphenyl)pyrrol-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(3,4-dimethoxyphenyl)pyrrol-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(3,4-dimethoxyphenyl)pyrrol-1-yl]ethyl]acetamide is COc1ccc(-c2cccn2CCNC(C)=O)cc1OC.
What is the InChIKey of N-[2-[2-(3,4-dimethoxyphenyl)pyrrol-1-yl]ethyl]acetamide?
The InChIKey is NFOVPSZUBLGLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12(19)17-8-10-18-9-4-5-14(18)13-6-7-15(20-2)16(11-13)21-3/h4-7,9,11H,8,10H2,1-3H3,(H,17,19).
What are the key properties of N-[2-[2-(3,4-dimethoxyphenyl)pyrrol-1-yl]ethyl]acetamide?
N-[2-[2-(3,4-dimethoxyphenyl)pyrrol-1-yl]ethyl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,4-dimethoxyphenyl)pyrrol-1-yl]ethyl]acetamide is sourced from PubChem (CID 19095412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).