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

C13H18N2O2 — CID 79280189

IUPACN-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(OC)c(C)c1
InChIInChI=1S/C13H18N2O2/c1-4-7-14-9-13(16)15-11-5-6-12(17-3)10(2)8-11/h4-6,8,14H,1,7,9H2,2-3H3,(H,15,16)
InChIKeyLLOYZEIUHVMTCQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.72
Rot. Bonds6

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

N-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide (PubChem CID 79280189) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide
PubChem CID79280189
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(OC)c(C)c1
InChIInChI=1S/C13H18N2O2/c1-4-7-14-9-13(16)15-11-5-6-12(17-3)10(2)8-11/h4-6,8,14H,1,7,9H2,2-3H3,(H,15,16)
InChIKeyLLOYZEIUHVMTCQ-UHFFFAOYSA-N
XLogP1.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
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-(3-bromo-4-methoxyphenyl)-2-(prop-2-enylamino)acetamide
CID 79280621
2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 78908488
N-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 79285856
4-methoxy-3-methyl-N-prop-2-enylaniline
CID 62140319
methyl 2-fluoro-5-[[2-(prop-2-enylamino)acetyl]amino]benzoate
CID 79286322
4-chloro-N-(4-methoxy-3-methylphenyl)butanamide
CID 63308381
5-hydroxy-N-(4-methoxy-3-methylphenyl)pentanamide
CID 79208943
N-(4-methyl-3-sulfamoylphenyl)-2-(prop-2-enylamino)acetamide
CID 78912240
2-(cyclopropylamino)-N-(4-methoxy-3-methylphenyl)acetamide
CID 54964531
N-[4-(2-methoxyethoxy)phenyl]-2-(prop-2-enylamino)acetamide
CID 54818436
3-(ethylamino)-N-(4-methoxy-3-methylphenyl)propanamide
CID 55121493
2-(3-methoxy-4-methylphenyl)-N-(4-methoxy-3-methylphenyl)acetamide
CID 87032377

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide (CID 79280189) is N-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1ccc(OC)c(C)c1.
What is the InChIKey of N-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is LLOYZEIUHVMTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-7-14-9-13(16)15-11-5-6-12(17-3)10(2)8-11/h4-6,8,14H,1,7,9H2,2-3H3,(H,15,16).
What are the key properties of N-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide?
N-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 234.30 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79280189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).