N,N-dimethyl-4-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]acetyl]amino]benzamide

C17H26N4O3 — CID 9302751

IUPACN,N-dimethyl-4-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]acetyl]amino]benzamide
SMILESCCCNC(=O)CN(C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C17H26N4O3/c1-5-10-18-15(22)11-21(4)12-16(23)19-14-8-6-13(7-9-14)17(24)20(2)3/h6-9H,5,10-12H2,1-4H3,(H,18,22)(H,19,23)
InChIKeyPVCGBMMURMPPQU-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.78
Rot. Bonds8

About N,N-dimethyl-4-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]acetyl]amino]benzamide

N,N-dimethyl-4-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]acetyl]amino]benzamide (PubChem CID 9302751) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]acetyl]amino]benzamide
PubChem CID9302751
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN,N-dimethyl-4-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]acetyl]amino]benzamide
SMILESCCCNC(=O)CN(C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C17H26N4O3/c1-5-10-18-15(22)11-21(4)12-16(23)19-14-8-6-13(7-9-14)17(24)20(2)3/h6-9H,5,10-12H2,1-4H3,(H,18,22)(H,19,23)
InChIKeyPVCGBMMURMPPQU-UHFFFAOYSA-N
XLogP0.78
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302973
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302931
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propylacetamide
CID 8816242
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide
CID 18083018
4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide
CID 54840845
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302865
4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8900899
4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide
CID 54815422
N,N-dimethyl-4-(octanoylamino)benzamide
CID 17231205
2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide
CID 9302823
4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide
CID 54837212

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]acetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]acetyl]amino]benzamide (CID 9302751) is N,N-dimethyl-4-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]acetyl]amino]benzamide is CCCNC(=O)CN(C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]acetyl]amino]benzamide?
The InChIKey is PVCGBMMURMPPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-5-10-18-15(22)11-21(4)12-16(23)19-14-8-6-13(7-9-14)17(24)20(2)3/h6-9H,5,10-12H2,1-4H3,(H,18,22)(H,19,23).
What are the key properties of N,N-dimethyl-4-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]acetyl]amino]benzamide?
N,N-dimethyl-4-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]acetyl]amino]benzamide has a molecular weight of 334.42 g/mol, XLogP of 0.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 9302751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).