N,N-diethyl-2-(3-propan-2-yloxypropanoylamino)benzamide

C17H26N2O3 — CID 86835537

IUPACN,N-diethyl-2-(3-propan-2-yloxypropanoylamino)benzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)CCOC(C)C
InChIInChI=1S/C17H26N2O3/c1-5-19(6-2)17(21)14-9-7-8-10-15(14)18-16(20)11-12-22-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,18,20)
InChIKeySKVGAAAIPSCCEJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.92
Rot. Bonds8

About N,N-diethyl-2-(3-propan-2-yloxypropanoylamino)benzamide

N,N-diethyl-2-(3-propan-2-yloxypropanoylamino)benzamide (PubChem CID 86835537) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N,N-diethyl-2-(3-propan-2-yloxypropanoylamino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-propan-2-yloxypropanoylamino)benzamide
PubChem CID86835537
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN,N-diethyl-2-(3-propan-2-yloxypropanoylamino)benzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)CCOC(C)C
InChIInChI=1S/C17H26N2O3/c1-5-19(6-2)17(21)14-9-7-8-10-15(14)18-16(20)11-12-22-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,18,20)
InChIKeySKVGAAAIPSCCEJ-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[4-(4-methylphenoxy)butanoylamino]benzamide
CID 21368478
N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 119422035
N,N-diethyl-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]benzamide
CID 86835480
N,N-diethyl-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119746610
N,N-diethyl-2-(2-methylsulfanylpropanoylamino)benzamide
CID 47383171
N,N-diethyl-2-[[2-(2-methoxyphenyl)acetyl]amino]benzamide
CID 86835472
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 86835516
2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide
CID 2985073
4-[2-(diethylcarbamoyl)anilino]-2,2-diethyl-4-oxobutanoic acid
CID 47704268
N,N-diethyl-2-(1,2,2-tricyanoethenylamino)benzamide
CID 168609753
1-[2-[2-(diethylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 47704266
N,N-diethyl-2-(propylamino)benzamide
CID 62171276

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-propan-2-yloxypropanoylamino)benzamide?
The IUPAC name of N,N-diethyl-2-(3-propan-2-yloxypropanoylamino)benzamide (CID 86835537) is N,N-diethyl-2-(3-propan-2-yloxypropanoylamino)benzamide.
What is the SMILES notation for N,N-diethyl-2-(3-propan-2-yloxypropanoylamino)benzamide?
The canonical SMILES for N,N-diethyl-2-(3-propan-2-yloxypropanoylamino)benzamide is CCN(CC)C(=O)c1ccccc1NC(=O)CCOC(C)C.
What is the InChIKey of N,N-diethyl-2-(3-propan-2-yloxypropanoylamino)benzamide?
The InChIKey is SKVGAAAIPSCCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-19(6-2)17(21)14-9-7-8-10-15(14)18-16(20)11-12-22-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,18,20).
What are the key properties of N,N-diethyl-2-(3-propan-2-yloxypropanoylamino)benzamide?
N,N-diethyl-2-(3-propan-2-yloxypropanoylamino)benzamide has a molecular weight of 306.41 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-propan-2-yloxypropanoylamino)benzamide is sourced from PubChem (CID 86835537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).