2-(3-methoxyanilino)-1-[2-(2-pyrrolidin-1-ylacetyl)phenyl]ethanone

C21H24N2O3 — CID 118485437

IUPAC2-(3-methoxyanilino)-1-[2-(2-pyrrolidin-1-ylacetyl)phenyl]ethanone
SMILESCOc1cccc(NCC(=O)c2ccccc2C(=O)CN2CCCC2)c1
InChIInChI=1S/C21H24N2O3/c1-26-17-8-6-7-16(13-17)22-14-20(24)18-9-2-3-10-19(18)21(25)15-23-11-4-5-12-23/h2-3,6-10,13,22H,4-5,11-12,14-15H2,1H3
InChIKeyFKTIRTAPUAQYOH-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.27
Rot. Bonds8

About 2-(3-methoxyanilino)-1-[2-(2-pyrrolidin-1-ylacetyl)phenyl]ethanone

2-(3-methoxyanilino)-1-[2-(2-pyrrolidin-1-ylacetyl)phenyl]ethanone (PubChem CID 118485437) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-1-[2-(2-pyrrolidin-1-ylacetyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(3-methoxyanilino)-1-[2-(2-pyrrolidin-1-ylacetyl)phenyl]ethanone
PubChem CID118485437
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-(3-methoxyanilino)-1-[2-(2-pyrrolidin-1-ylacetyl)phenyl]ethanone
SMILESCOc1cccc(NCC(=O)c2ccccc2C(=O)CN2CCCC2)c1
InChIInChI=1S/C21H24N2O3/c1-26-17-8-6-7-16(13-17)22-14-20(24)18-9-2-3-10-19(18)21(25)15-23-11-4-5-12-23/h2-3,6-10,13,22H,4-5,11-12,14-15H2,1H3
InChIKeyFKTIRTAPUAQYOH-UHFFFAOYSA-N
XLogP3.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-hydroxyanilino)-1-[2-(2-piperidin-1-ylacetyl)phenyl]ethanone
CID 118485492
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
2-(3-methoxyanilino)-1-(4-methoxyphenyl)ethanone
CID 1133350
N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline
CID 54807048
1-(2-methoxyphenyl)-2-(3-methylanilino)ethanone
CID 94271270
N-(3-methoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085005
2-anilino-1-(2,4-dimethoxyphenyl)ethanone
CID 94281074
ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003882
1-(3-methoxyphenyl)-3-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]urea
CID 170861674
2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 39335252
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9257418

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-1-[2-(2-pyrrolidin-1-ylacetyl)phenyl]ethanone?
The IUPAC name of 2-(3-methoxyanilino)-1-[2-(2-pyrrolidin-1-ylacetyl)phenyl]ethanone (CID 118485437) is 2-(3-methoxyanilino)-1-[2-(2-pyrrolidin-1-ylacetyl)phenyl]ethanone.
What is the SMILES notation for 2-(3-methoxyanilino)-1-[2-(2-pyrrolidin-1-ylacetyl)phenyl]ethanone?
The canonical SMILES for 2-(3-methoxyanilino)-1-[2-(2-pyrrolidin-1-ylacetyl)phenyl]ethanone is COc1cccc(NCC(=O)c2ccccc2C(=O)CN2CCCC2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-1-[2-(2-pyrrolidin-1-ylacetyl)phenyl]ethanone?
The InChIKey is FKTIRTAPUAQYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-26-17-8-6-7-16(13-17)22-14-20(24)18-9-2-3-10-19(18)21(25)15-23-11-4-5-12-23/h2-3,6-10,13,22H,4-5,11-12,14-15H2,1H3.
What are the key properties of 2-(3-methoxyanilino)-1-[2-(2-pyrrolidin-1-ylacetyl)phenyl]ethanone?
2-(3-methoxyanilino)-1-[2-(2-pyrrolidin-1-ylacetyl)phenyl]ethanone has a molecular weight of 352.43 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-1-[2-(2-pyrrolidin-1-ylacetyl)phenyl]ethanone is sourced from PubChem (CID 118485437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).