3-[(2-benzamido-3-methylpentanoyl)amino]-N,N-diethylbenzamide

C24H31N3O3 — CID 24626096

IUPAC3-[(2-benzamido-3-methylpentanoyl)amino]-N,N-diethylbenzamide
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)Nc1cccc(C(=O)N(CC)CC)c1
InChIInChI=1S/C24H31N3O3/c1-5-17(4)21(26-22(28)18-12-9-8-10-13-18)23(29)25-20-15-11-14-19(16-20)24(30)27(6-2)7-3/h8-17,21H,5-7H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyZGCTVNYXXQANLO-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.95
Rot. Bonds9

About 3-[(2-benzamido-3-methylpentanoyl)amino]-N,N-diethylbenzamide

3-[(2-benzamido-3-methylpentanoyl)amino]-N,N-diethylbenzamide (PubChem CID 24626096) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 3-[(2-benzamido-3-methylpentanoyl)amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[(2-benzamido-3-methylpentanoyl)amino]-N,N-diethylbenzamide
PubChem CID24626096
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name3-[(2-benzamido-3-methylpentanoyl)amino]-N,N-diethylbenzamide
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)Nc1cccc(C(=O)N(CC)CC)c1
InChIInChI=1S/C24H31N3O3/c1-5-17(4)21(26-22(28)18-12-9-8-10-13-18)23(29)25-20-15-11-14-19(16-20)24(30)27(6-2)7-3/h8-17,21H,5-7H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyZGCTVNYXXQANLO-UHFFFAOYSA-N
XLogP3.95
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(diethylaminomethyl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55602409
N-[(2S,3S)-3-methyl-1-oxo-1-[3-(trifluoromethyl)anilino]pentan-2-yl]benzamide
CID 9138725
N-[1-[3-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 46579081
N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide
CID 39953572
N-[(2S,3S)-3-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 9138580
N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]pentan-2-yl]benzamide
CID 55550380
N-[3-methyl-1-oxo-1-[3-(2-pyrazol-1-ylpropanoylamino)anilino]pentan-2-yl]benzamide
CID 46468316
N,N-diethyl-3-[(2-hydroxy-2-phenylacetyl)amino]benzamide
CID 111432146
N-[1-[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55727905
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,N-diethylbenzamide
CID 119685445
N-[(2S,3S)-3-methyl-1-oxo-1-(4-sulfamoylanilino)pentan-2-yl]benzamide
CID 9034859
N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835017

Frequently Asked Questions

What is the IUPAC name of 3-[(2-benzamido-3-methylpentanoyl)amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[(2-benzamido-3-methylpentanoyl)amino]-N,N-diethylbenzamide (CID 24626096) is 3-[(2-benzamido-3-methylpentanoyl)amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[(2-benzamido-3-methylpentanoyl)amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[(2-benzamido-3-methylpentanoyl)amino]-N,N-diethylbenzamide is CCC(C)C(NC(=O)c1ccccc1)C(=O)Nc1cccc(C(=O)N(CC)CC)c1.
What is the InChIKey of 3-[(2-benzamido-3-methylpentanoyl)amino]-N,N-diethylbenzamide?
The InChIKey is ZGCTVNYXXQANLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-5-17(4)21(26-22(28)18-12-9-8-10-13-18)23(29)25-20-15-11-14-19(16-20)24(30)27(6-2)7-3/h8-17,21H,5-7H2,1-4H3,(H,25,29)(H,26,28).
What are the key properties of 3-[(2-benzamido-3-methylpentanoyl)amino]-N,N-diethylbenzamide?
3-[(2-benzamido-3-methylpentanoyl)amino]-N,N-diethylbenzamide has a molecular weight of 409.53 g/mol, XLogP of 3.95, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-benzamido-3-methylpentanoyl)amino]-N,N-diethylbenzamide is sourced from PubChem (CID 24626096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).