N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide

C16H25N3O2 — CID 54817607

IUPACN,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CNC(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-5-19(6-2)16(21)13-8-7-9-14(10-13)18-15(20)11-17-12(3)4/h7-10,12,17H,5-6,11H2,1-4H3,(H,18,20)
InChIKeyAITPLPSBJKOGPV-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.11
Rot. Bonds7

About N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide

N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide (PubChem CID 54817607) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
PubChem CID54817607
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CNC(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-5-19(6-2)16(21)13-8-7-9-14(10-13)18-15(20)11-17-12(3)4/h7-10,12,17H,5-6,11H2,1-4H3,(H,18,20)
InChIKeyAITPLPSBJKOGPV-UHFFFAOYSA-N
XLogP2.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide
CID 8637200
3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817579
3-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide
CID 8638827
3-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-diethylbenzamide
CID 18228267
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26712597
N,N-diethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78913226
N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835017
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 54837209
ethyl 2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoate
CID 71853615

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide (CID 54817607) is N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)CNC(C)C)c1.
What is the InChIKey of N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide?
The InChIKey is AITPLPSBJKOGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-19(6-2)16(21)13-8-7-9-14(10-13)18-15(20)11-17-12(3)4/h7-10,12,17H,5-6,11H2,1-4H3,(H,18,20).
What are the key properties of N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide?
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide has a molecular weight of 291.39 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54817607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).