2-[3-(aminomethyl)anilino]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide

C27H30N4O2 — CID 69337429

IUPAC2-[3-(aminomethyl)anilino]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide
SMILESCN(C(=O)C(Nc1cccc(CN)c1)c1ccccc1)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C27H30N4O2/c1-30(23-13-15-24(16-14-23)31-17-6-5-12-25(31)32)27(33)26(21-9-3-2-4-10-21)29-22-11-7-8-20(18-22)19-28/h2-4,7-11,13-16,18,26,29H,5-6,12,17,19,28H2,1H3
InChIKeyRXMRDURBROBCHF-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.48
Rot. Bonds7

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

2-[3-(aminomethyl)anilino]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide (PubChem CID 69337429) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-[3-(aminomethyl)anilino]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)anilino]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide
PubChem CID69337429
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name2-[3-(aminomethyl)anilino]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide
SMILESCN(C(=O)C(Nc1cccc(CN)c1)c1ccccc1)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C27H30N4O2/c1-30(23-13-15-24(16-14-23)31-17-6-5-12-25(31)32)27(33)26(21-9-3-2-4-10-21)29-22-11-7-8-20(18-22)19-28/h2-4,7-11,13-16,18,26,29H,5-6,12,17,19,28H2,1H3
InChIKeyRXMRDURBROBCHF-UHFFFAOYSA-N
XLogP4.48
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)anilino]-N-[4-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
CID 69337781
2-[3-(aminomethyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide
CID 69337127
(2S)-2-[3-(aminomethyl)anilino]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 124637563
(2S)-N,N-dimethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-2-phenylacetamide
CID 25480897
1-(N-[3-(aminomethyl)phenyl]-4-fluoroanilino)-3-[4-(2-oxopiperidin-1-yl)phenyl]urea
CID 10388923
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
(2S)-N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967422
1-(3-ethylphenyl)-2-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111080466
(2S)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-2-phenylacetamide
CID 8967220
2-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111080480
3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide
CID 119724510

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)anilino]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide?
The IUPAC name of 2-[3-(aminomethyl)anilino]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide (CID 69337429) is 2-[3-(aminomethyl)anilino]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)anilino]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)anilino]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide is CN(C(=O)C(Nc1cccc(CN)c1)c1ccccc1)c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of 2-[3-(aminomethyl)anilino]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide?
The InChIKey is RXMRDURBROBCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-30(23-13-15-24(16-14-23)31-17-6-5-12-25(31)32)27(33)26(21-9-3-2-4-10-21)29-22-11-7-8-20(18-22)19-28/h2-4,7-11,13-16,18,26,29H,5-6,12,17,19,28H2,1H3.
What are the key properties of 2-[3-(aminomethyl)anilino]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide?
2-[3-(aminomethyl)anilino]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide has a molecular weight of 442.56 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)anilino]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 69337429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).