N,N-diethyl-3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide

C16H23N3O2 — CID 54832875

IUPACN,N-diethyl-3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
SMILESC=CCNC(=O)CNc1cccc(C(=O)N(CC)CC)c1
InChIInChI=1S/C16H23N3O2/c1-4-10-17-15(20)12-18-14-9-7-8-13(11-14)16(21)19(5-2)6-3/h4,7-9,11,18H,1,5-6,10,12H2,2-3H3,(H,17,20)
InChIKeyVLZFGQBTBNIVSA-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.88
Rot. Bonds8

About N,N-diethyl-3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide

N,N-diethyl-3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide (PubChem CID 54832875) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
PubChem CID54832875
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN,N-diethyl-3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
SMILESC=CCNC(=O)CNc1cccc(C(=O)N(CC)CC)c1
InChIInChI=1S/C16H23N3O2/c1-4-10-17-15(20)12-18-14-9-7-8-13(11-14)16(21)19(5-2)6-3/h4,7-9,11,18H,1,5-6,10,12H2,2-3H3,(H,17,20)
InChIKeyVLZFGQBTBNIVSA-UHFFFAOYSA-N
XLogP1.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
CID 54842423
3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832401
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832690
2-(3-acetamidoanilino)-N-prop-2-enylacetamide
CID 54831608
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832743
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]benzamide
CID 54839094
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 54837209
3-[[2-[4-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832656
N,N-diethyl-3-(prop-2-enoylamino)benzamide
CID 43616413
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832742
N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835017

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide (CID 54832875) is N,N-diethyl-3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide is C=CCNC(=O)CNc1cccc(C(=O)N(CC)CC)c1.
What is the InChIKey of N,N-diethyl-3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide?
The InChIKey is VLZFGQBTBNIVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-10-17-15(20)12-18-14-9-7-8-13(11-14)16(21)19(5-2)6-3/h4,7-9,11,18H,1,5-6,10,12H2,2-3H3,(H,17,20).
What are the key properties of N,N-diethyl-3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide?
N,N-diethyl-3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide has a molecular weight of 289.38 g/mol, XLogP of 1.88, 8 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-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide is sourced from PubChem (CID 54832875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).