N,4-dimethyl-3-[[2-(prop-2-enylamino)acetyl]amino]benzamide

C14H19N3O2 — CID 79285015

IUPACN,4-dimethyl-3-[[2-(prop-2-enylamino)acetyl]amino]benzamide
SMILESC=CCNCC(=O)Nc1cc(C(=O)NC)ccc1C
InChIInChI=1S/C14H19N3O2/c1-4-7-16-9-13(18)17-12-8-11(14(19)15-3)6-5-10(12)2/h4-6,8,16H,1,7,9H2,2-3H3,(H,15,19)(H,17,18)
InChIKeyGRLKOTJMMSVZHS-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.07
Rot. Bonds6

About N,4-dimethyl-3-[[2-(prop-2-enylamino)acetyl]amino]benzamide

N,4-dimethyl-3-[[2-(prop-2-enylamino)acetyl]amino]benzamide (PubChem CID 79285015) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N,4-dimethyl-3-[[2-(prop-2-enylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,4-dimethyl-3-[[2-(prop-2-enylamino)acetyl]amino]benzamide
PubChem CID79285015
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN,4-dimethyl-3-[[2-(prop-2-enylamino)acetyl]amino]benzamide
SMILESC=CCNCC(=O)Nc1cc(C(=O)NC)ccc1C
InChIInChI=1S/C14H19N3O2/c1-4-7-16-9-13(18)17-12-8-11(14(19)15-3)6-5-10(12)2/h4-6,8,16H,1,7,9H2,2-3H3,(H,15,19)(H,17,18)
InChIKeyGRLKOTJMMSVZHS-UHFFFAOYSA-N
XLogP1.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide
CID 43711940
3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide
CID 79199583
5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid
CID 60941385
N-(2-methyl-5-nitrophenyl)-2-(prop-2-enylamino)acetamide
CID 71627698
N,4-dimethyl-3-[[2-[(2-phenylacetyl)amino]acetyl]amino]benzamide
CID 43073786
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(prop-2-enylamino)acetamide
CID 78908238
N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285286
3-(3-aminobutanoylamino)-N,4-dimethylbenzamide
CID 60843540
N-(4-bromo-2-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 78908308
3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid
CID 62963858
3-[[2-(2-chlorophenyl)acetyl]amino]-N,4-dimethylbenzamide
CID 39132668
3-benzamido-N,4-dimethylbenzamide
CID 17226324

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-[[2-(prop-2-enylamino)acetyl]amino]benzamide?
The IUPAC name of N,4-dimethyl-3-[[2-(prop-2-enylamino)acetyl]amino]benzamide (CID 79285015) is N,4-dimethyl-3-[[2-(prop-2-enylamino)acetyl]amino]benzamide.
What is the SMILES notation for N,4-dimethyl-3-[[2-(prop-2-enylamino)acetyl]amino]benzamide?
The canonical SMILES for N,4-dimethyl-3-[[2-(prop-2-enylamino)acetyl]amino]benzamide is C=CCNCC(=O)Nc1cc(C(=O)NC)ccc1C.
What is the InChIKey of N,4-dimethyl-3-[[2-(prop-2-enylamino)acetyl]amino]benzamide?
The InChIKey is GRLKOTJMMSVZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-7-16-9-13(18)17-12-8-11(14(19)15-3)6-5-10(12)2/h4-6,8,16H,1,7,9H2,2-3H3,(H,15,19)(H,17,18).
What are the key properties of N,4-dimethyl-3-[[2-(prop-2-enylamino)acetyl]amino]benzamide?
N,4-dimethyl-3-[[2-(prop-2-enylamino)acetyl]amino]benzamide has a molecular weight of 261.32 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-[[2-(prop-2-enylamino)acetyl]amino]benzamide is sourced from PubChem (CID 79285015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).