N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(2-methoxyphenyl)acetamide

C16H20N2O2 — CID 110786198

IUPACN-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NCc1cc(C)[nH]c1C
InChIInChI=1S/C16H20N2O2/c1-11-8-14(12(2)18-11)10-17-16(19)9-13-6-4-5-7-15(13)20-3/h4-8,18H,9-10H2,1-3H3,(H,17,19)
InChIKeyRFKPVASRVQSTIO-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.50
Rot. Bonds5

About N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(2-methoxyphenyl)acetamide

N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(2-methoxyphenyl)acetamide (PubChem CID 110786198) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(2-methoxyphenyl)acetamide
PubChem CID110786198
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NCc1cc(C)[nH]c1C
InChIInChI=1S/C16H20N2O2/c1-11-8-14(12(2)18-11)10-17-16(19)9-13-6-4-5-7-15(13)20-3/h4-8,18H,9-10H2,1-3H3,(H,17,19)
InChIKeyRFKPVASRVQSTIO-UHFFFAOYSA-N
XLogP2.50
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-(2-methoxyphenyl)propanamide
CID 110416240
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780829
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 55900087
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31886769
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 9404923
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 110786205
2-diethoxyphosphoryl-N-[(2-methoxyphenyl)methyl]acetamide
CID 141034258

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(2-methoxyphenyl)acetamide (CID 110786198) is N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NCc1cc(C)[nH]c1C.
What is the InChIKey of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is RFKPVASRVQSTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-8-14(12(2)18-11)10-17-16(19)9-13-6-4-5-7-15(13)20-3/h4-8,18H,9-10H2,1-3H3,(H,17,19).
What are the key properties of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(2-methoxyphenyl)acetamide?
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 110786198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).