N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide

C20H24N4O3 — CID 54840880

IUPACN,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
SMILESCCC(=O)Nc1ccc(NC(=O)CNc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C20H24N4O3/c1-4-18(25)22-15-8-10-16(11-9-15)23-19(26)13-21-17-7-5-6-14(12-17)20(27)24(2)3/h5-12,21H,4,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyWDIXVLQCPBASTO-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.79
Rot. Bonds7

About N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide

N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide (PubChem CID 54840880) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
PubChem CID54840880
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
SMILESCCC(=O)Nc1ccc(NC(=O)CNc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C20H24N4O3/c1-4-18(25)22-15-8-10-16(11-9-15)23-19(26)13-21-17-7-5-6-14(12-17)20(27)24(2)3/h5-12,21H,4,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyWDIXVLQCPBASTO-UHFFFAOYSA-N
XLogP2.79
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54840721
3-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 37275657
3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840700
N,N-dimethyl-3-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54840725
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 54816056
3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840849
3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840596
3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 31418295
3-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29454051
3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840717
N,N-dimethyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54840567
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 32908676

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide (CID 54840880) is N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide is CCC(=O)Nc1ccc(NC(=O)CNc2cccc(C(=O)N(C)C)c2)cc1.
What is the InChIKey of N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide?
The InChIKey is WDIXVLQCPBASTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-4-18(25)22-15-8-10-16(11-9-15)23-19(26)13-21-17-7-5-6-14(12-17)20(27)24(2)3/h5-12,21H,4,13H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide?
N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide has a molecular weight of 368.44 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54840880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).