N-[(4-methoxyphenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide

C14H16N2O2 — CID 110690812

IUPACN-[(4-methoxyphenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2ccc[nH]2)cc1
InChIInChI=1S/C14H16N2O2/c1-18-13-6-4-11(5-7-13)10-16-14(17)9-12-3-2-8-15-12/h2-8,15H,9-10H2,1H3,(H,16,17)
InChIKeyYKKKDVQTENGXDV-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.88
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide

N-[(4-methoxyphenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide (PubChem CID 110690812) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide
PubChem CID110690812
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2ccc[nH]2)cc1
InChIInChI=1S/C14H16N2O2/c1-18-13-6-4-11(5-7-13)10-16-14(17)9-12-3-2-8-15-12/h2-8,15H,9-10H2,1H3,(H,16,17)
InChIKeyYKKKDVQTENGXDV-UHFFFAOYSA-N
XLogP1.88
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-(1H-pyrrol-2-yl)acetamide
CID 110690825
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2544461
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 110357464
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407
N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 58957123
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
2-(9H-carbazol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 163300249
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 71715351

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide (CID 110690812) is N-[(4-methoxyphenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide is COc1ccc(CNC(=O)Cc2ccc[nH]2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide?
The InChIKey is YKKKDVQTENGXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-18-13-6-4-11(5-7-13)10-16-14(17)9-12-3-2-8-15-12/h2-8,15H,9-10H2,1H3,(H,16,17).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide?
N-[(4-methoxyphenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide has a molecular weight of 244.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide is sourced from PubChem (CID 110690812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).