2-[3-(aminomethyl)anilino]-N-[4-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide

C27H30N4O2 — CID 69337781

IUPAC2-[3-(aminomethyl)anilino]-N-[4-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
SMILESCCc1ccc(NC(=O)C(Nc2cccc(CN)c2)c2ccccc2)cc1N1CCCC1=O
InChIInChI=1S/C27H30N4O2/c1-2-20-13-14-23(17-24(20)31-15-7-12-25(31)32)30-27(33)26(21-9-4-3-5-10-21)29-22-11-6-8-19(16-22)18-28/h3-6,8-11,13-14,16-17,26,29H,2,7,12,15,18,28H2,1H3,(H,30,33)
InChIKeyRKXNWJFINDFOFT-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.63
Rot. Bonds8

About 2-[3-(aminomethyl)anilino]-N-[4-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide

2-[3-(aminomethyl)anilino]-N-[4-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide (PubChem CID 69337781) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-[3-(aminomethyl)anilino]-N-[4-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)anilino]-N-[4-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
PubChem CID69337781
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name2-[3-(aminomethyl)anilino]-N-[4-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
SMILESCCc1ccc(NC(=O)C(Nc2cccc(CN)c2)c2ccccc2)cc1N1CCCC1=O
InChIInChI=1S/C27H30N4O2/c1-2-20-13-14-23(17-24(20)31-15-7-12-25(31)32)30-27(33)26(21-9-4-3-5-10-21)29-22-11-6-8-19(16-22)18-28/h3-6,8-11,13-14,16-17,26,29H,2,7,12,15,18,28H2,1H3,(H,30,33)
InChIKeyRKXNWJFINDFOFT-UHFFFAOYSA-N
XLogP4.63
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)anilino]-N-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(3-fluorophenyl)acetamide
CID 69337278
(2S)-2-[3-(aminomethyl)anilino]-N-[4-(2,2-dimethyl-5-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
CID 69337184
2-[3-(aminomethyl)anilino]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide
CID 69337429
(2S)-2-[3-(aminomethyl)anilino]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 124637563
N-(3-methoxyphenyl)-2-[4-[(2-oxopyrrolidin-1-yl)methyl]anilino]-2-phenylacetamide
CID 87033167
2-[3-(aminomethyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide
CID 69337127
(2R)-2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
CID 124626736
2-[3-(aminomethyl)anilino]-2-(2-fluorophenyl)-N-[4-[(2E)-2-hydroxyiminopiperidin-1-yl]-3-methylphenyl]acetamide
CID 10310922
3-amino-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide
CID 119692837
(2S)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-2-phenylacetamide
CID 8967220
3-(aminomethyl)-N-[(1S)-2-oxo-1-phenyl-2-[[1-(2-phenylacetyl)-2,3-dihydroindol-6-yl]amino]ethyl]benzamide
CID 10189485
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)anilino]-N-[4-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide?
The IUPAC name of 2-[3-(aminomethyl)anilino]-N-[4-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide (CID 69337781) is 2-[3-(aminomethyl)anilino]-N-[4-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)anilino]-N-[4-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)anilino]-N-[4-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide is CCc1ccc(NC(=O)C(Nc2cccc(CN)c2)c2ccccc2)cc1N1CCCC1=O.
What is the InChIKey of 2-[3-(aminomethyl)anilino]-N-[4-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide?
The InChIKey is RKXNWJFINDFOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-2-20-13-14-23(17-24(20)31-15-7-12-25(31)32)30-27(33)26(21-9-4-3-5-10-21)29-22-11-6-8-19(16-22)18-28/h3-6,8-11,13-14,16-17,26,29H,2,7,12,15,18,28H2,1H3,(H,30,33).
What are the key properties of 2-[3-(aminomethyl)anilino]-N-[4-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide?
2-[3-(aminomethyl)anilino]-N-[4-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide has a molecular weight of 442.56 g/mol, XLogP of 4.63, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)anilino]-N-[4-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 69337781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).