3,4-dimethyl-N-[2-oxo-2-(2-phenylbutylamino)ethyl]benzamide

C21H26N2O2 — CID 51213384

IUPAC3,4-dimethyl-N-[2-oxo-2-(2-phenylbutylamino)ethyl]benzamide
SMILESCCC(CNC(=O)CNC(=O)c1ccc(C)c(C)c1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-4-17(18-8-6-5-7-9-18)13-22-20(24)14-23-21(25)19-11-10-15(2)16(3)12-19/h5-12,17H,4,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyOOVVPQKNXZOIQA-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.34
Rot. Bonds7

About 3,4-dimethyl-N-[2-oxo-2-(2-phenylbutylamino)ethyl]benzamide

3,4-dimethyl-N-[2-oxo-2-(2-phenylbutylamino)ethyl]benzamide (PubChem CID 51213384) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-oxo-2-(2-phenylbutylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-oxo-2-(2-phenylbutylamino)ethyl]benzamide
PubChem CID51213384
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3,4-dimethyl-N-[2-oxo-2-(2-phenylbutylamino)ethyl]benzamide
SMILESCCC(CNC(=O)CNC(=O)c1ccc(C)c(C)c1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-4-17(18-8-6-5-7-9-18)13-22-20(24)14-23-21(25)19-11-10-15(2)16(3)12-19/h5-12,17H,4,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyOOVVPQKNXZOIQA-UHFFFAOYSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 18167164
3,4-dimethyl-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 7534879
N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 26796426
N-[2-oxo-2-(2-phenylbutylamino)ethyl]-2-phenylacetamide
CID 51252058
N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 46432021
4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708
N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 51186432
3,4-difluoro-N-(2-phenylbutyl)benzamide
CID 43016062
2-[[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]methyl]-4-methylpentanoic acid
CID 120528480
N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide
CID 63120465
5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide
CID 27862886
3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 32559240

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-oxo-2-(2-phenylbutylamino)ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-oxo-2-(2-phenylbutylamino)ethyl]benzamide (CID 51213384) is 3,4-dimethyl-N-[2-oxo-2-(2-phenylbutylamino)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-oxo-2-(2-phenylbutylamino)ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-oxo-2-(2-phenylbutylamino)ethyl]benzamide is CCC(CNC(=O)CNC(=O)c1ccc(C)c(C)c1)c1ccccc1.
What is the InChIKey of 3,4-dimethyl-N-[2-oxo-2-(2-phenylbutylamino)ethyl]benzamide?
The InChIKey is OOVVPQKNXZOIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-17(18-8-6-5-7-9-18)13-22-20(24)14-23-21(25)19-11-10-15(2)16(3)12-19/h5-12,17H,4,13-14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 3,4-dimethyl-N-[2-oxo-2-(2-phenylbutylamino)ethyl]benzamide?
3,4-dimethyl-N-[2-oxo-2-(2-phenylbutylamino)ethyl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-oxo-2-(2-phenylbutylamino)ethyl]benzamide is sourced from PubChem (CID 51213384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).