2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide

C26H35N3O2 — CID 56580263

IUPAC2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
SMILESCCN(CC)C(C(=O)Nc1ccc(C(=O)N2CCCCC2C)cc1C)c1ccccc1
InChIInChI=1S/C26H35N3O2/c1-5-28(6-2)24(21-13-8-7-9-14-21)25(30)27-23-16-15-22(18-19(23)3)26(31)29-17-11-10-12-20(29)4/h7-9,13-16,18,20,24H,5-6,10-12,17H2,1-4H3,(H,27,30)
InChIKeyJGOMMEULMYSQBK-UHFFFAOYSA-N
MW421.59 g/mol
LogP5.03
Rot. Bonds7

About 2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide

2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide (PubChem CID 56580263) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
PubChem CID56580263
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
SMILESCCN(CC)C(C(=O)Nc1ccc(C(=O)N2CCCCC2C)cc1C)c1ccccc1
InChIInChI=1S/C26H35N3O2/c1-5-28(6-2)24(21-13-8-7-9-14-21)25(30)27-23-16-15-22(18-19(23)3)26(31)29-17-11-10-12-20(29)4/h7-9,13-16,18,20,24H,5-6,10-12,17H2,1-4H3,(H,27,30)
InChIKeyJGOMMEULMYSQBK-UHFFFAOYSA-N
XLogP5.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylsulfanylpropanamide
CID 86933803
2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 119305940
2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120790160
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]propanamide
CID 95139458
N-(4-bromo-2-methylphenyl)-2-(diethylamino)-2-phenylacetamide
CID 56538096
5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119113859
(3R)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-1,1-dioxothiolane-3-carboxamide
CID 95279539
4-amino-3-methoxy-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 120590472
N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 128950826
N-[3-[(2R)-2-methylpiperidine-1-carbonyl]-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-2,2-diphenylacetamide
CID 27892566
N-[2-methyl-5-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 95592222
2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 119283677

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide?
The IUPAC name of 2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide (CID 56580263) is 2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide?
The canonical SMILES for 2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide is CCN(CC)C(C(=O)Nc1ccc(C(=O)N2CCCCC2C)cc1C)c1ccccc1.
What is the InChIKey of 2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide?
The InChIKey is JGOMMEULMYSQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-5-28(6-2)24(21-13-8-7-9-14-21)25(30)27-23-16-15-22(18-19(23)3)26(31)29-17-11-10-12-20(29)4/h7-9,13-16,18,20,24H,5-6,10-12,17H2,1-4H3,(H,27,30).
What are the key properties of 2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide?
2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide has a molecular weight of 421.59 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 56580263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).