2-[3-(aminomethyl)pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide

C14H17N3O2 — CID 66408186

IUPAC2-[3-(aminomethyl)pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1ccc(CN)c1
InChIInChI=1S/C14H17N3O2/c1-19-13-5-3-2-4-12(13)16-14(18)10-17-7-6-11(8-15)9-17/h2-7,9H,8,10,15H2,1H3,(H,16,18)
InChIKeyHEONAAZMSKMROD-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.59
Rot. Bonds5

About 2-[3-(aminomethyl)pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide

2-[3-(aminomethyl)pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 66408186) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID66408186
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[3-(aminomethyl)pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1ccc(CN)c1
InChIInChI=1S/C14H17N3O2/c1-19-13-5-3-2-4-12(13)16-14(18)10-17-7-6-11(8-15)9-17/h2-7,9H,8,10,15H2,1H3,(H,16,18)
InChIKeyHEONAAZMSKMROD-UHFFFAOYSA-N
XLogP1.59
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
2-[3-(aminomethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66407322
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 116642054
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1251511
N-(2-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773711
2-(2-hydroxyphenyl)-N-(2-methoxyphenyl)acetamide
CID 60615730
2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 79106416
2-[1-[2-(2-methoxyanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64617921
1-[2-(2-methoxyanilino)-2-oxoethyl]-3-methylpyrrole-2-carboxylic acid
CID 102604500
7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
CID 119670519
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 8930541

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide (CID 66408186) is 2-[3-(aminomethyl)pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)Cn1ccc(CN)c1.
What is the InChIKey of 2-[3-(aminomethyl)pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is HEONAAZMSKMROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-13-5-3-2-4-12(13)16-14(18)10-17-7-6-11(8-15)9-17/h2-7,9H,8,10,15H2,1H3,(H,16,18).
What are the key properties of 2-[3-(aminomethyl)pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide?
2-[3-(aminomethyl)pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 66408186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).