N-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide

C14H19N3O2 — CID 79285856

IUPACN-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(NC(C)=O)c(C)c1
InChIInChI=1S/C14H19N3O2/c1-4-7-15-9-14(19)17-12-5-6-13(10(2)8-12)16-11(3)18/h4-6,8,15H,1,7,9H2,2-3H3,(H,16,18)(H,17,19)
InChIKeyATOJOJQPGFOWGA-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.67
Rot. Bonds6

About N-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide

N-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide (PubChem CID 79285856) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide
PubChem CID79285856
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(NC(C)=O)c(C)c1
InChIInChI=1S/C14H19N3O2/c1-4-7-15-9-14(19)17-12-5-6-13(10(2)8-12)16-11(3)18/h4-6,8,15H,1,7,9H2,2-3H3,(H,16,18)(H,17,19)
InChIKeyATOJOJQPGFOWGA-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
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

N-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 79280189
N-(4-bromo-2-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 78908308
N-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide
CID 78908291
N-(4-methyl-3-sulfamoylphenyl)-2-(prop-2-enylamino)acetamide
CID 78912240
N-(4-ethylsulfonylphenyl)-2-(prop-2-enylamino)acetamide
CID 79285005
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide
CID 78912242
N-(4-acetamido-3-methylphenyl)-3-aminopropanamide
CID 43698824
N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-enylamino)acetamide
CID 79278789
N-(4-chloro-3-fluorophenyl)-2-(prop-2-enylamino)acetamide
CID 79285958
N-(4-acetamido-3-methylphenyl)-5-chloropentanamide
CID 43696544
N-[4-chloro-3-[[2-(prop-2-enylamino)acetyl]amino]phenyl]butanamide
CID 54818293
N-(4-bromo-3-fluorophenyl)-2-(prop-2-enylamino)acetamide
CID 79279349

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide (CID 79285856) is N-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1ccc(NC(C)=O)c(C)c1.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is ATOJOJQPGFOWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-7-15-9-14(19)17-12-5-6-13(10(2)8-12)16-11(3)18/h4-6,8,15H,1,7,9H2,2-3H3,(H,16,18)(H,17,19).
What are the key properties of N-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide?
N-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 261.32 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79285856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).