N-(3,4-dimethoxyphenyl)-2-(1H-pyrrol-3-yl)acetamide

C14H16N2O3 — CID 110769222

IUPACN-(3,4-dimethoxyphenyl)-2-(1H-pyrrol-3-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2cc[nH]c2)cc1OC
InChIInChI=1S/C14H16N2O3/c1-18-12-4-3-11(8-13(12)19-2)16-14(17)7-10-5-6-15-9-10/h3-6,8-9,15H,7H2,1-2H3,(H,16,17)
InChIKeyIWUKPGXJOPPQGG-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.21
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-2-(1H-pyrrol-3-yl)acetamide

N-(3,4-dimethoxyphenyl)-2-(1H-pyrrol-3-yl)acetamide (PubChem CID 110769222) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(1H-pyrrol-3-yl)acetamide
PubChem CID110769222
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(1H-pyrrol-3-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2cc[nH]c2)cc1OC
InChIInChI=1S/C14H16N2O3/c1-18-12-4-3-11(8-13(12)19-2)16-14(17)7-10-5-6-15-9-10/h3-6,8-9,15H,7H2,1-2H3,(H,16,17)
InChIKeyIWUKPGXJOPPQGG-UHFFFAOYSA-N
XLogP2.21
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide
CID 110769143
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 2682877
N-(3,4-dimethoxyphenyl)-2-(3-methylphenyl)acetamide
CID 9497409
N-(3-bromo-4-methylphenyl)-2-(1H-pyrrol-3-yl)acetamide
CID 110769211
3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 64684929
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 16913183
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)acetamide
CID 100756178
N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)acetamide
CID 37465407
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782633
N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)acetamide
CID 110690712

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(1H-pyrrol-3-yl)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(1H-pyrrol-3-yl)acetamide (CID 110769222) is N-(3,4-dimethoxyphenyl)-2-(1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(1H-pyrrol-3-yl)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(1H-pyrrol-3-yl)acetamide is COc1ccc(NC(=O)Cc2cc[nH]c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(1H-pyrrol-3-yl)acetamide?
The InChIKey is IWUKPGXJOPPQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-12-4-3-11(8-13(12)19-2)16-14(17)7-10-5-6-15-9-10/h3-6,8-9,15H,7H2,1-2H3,(H,16,17).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(1H-pyrrol-3-yl)acetamide?
N-(3,4-dimethoxyphenyl)-2-(1H-pyrrol-3-yl)acetamide has a molecular weight of 260.29 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(1H-pyrrol-3-yl)acetamide is sourced from PubChem (CID 110769222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).