2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)acetamide

C14H20N2O4 — CID 78908488

IUPAC2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESC=CCNCC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H20N2O4/c1-5-6-15-9-13(17)16-10-7-11(18-2)14(20-4)12(8-10)19-3/h5,7-8,15H,1,6,9H2,2-4H3,(H,16,17)
InChIKeyQHGKJIFLSLYXQT-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.43
Rot. Bonds8

About 2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 78908488) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID78908488
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESC=CCNCC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H20N2O4/c1-5-6-15-9-13(17)16-10-7-11(18-2)14(20-4)12(8-10)19-3/h5,7-8,15H,1,6,9H2,2-4H3,(H,16,17)
InChIKeyQHGKJIFLSLYXQT-UHFFFAOYSA-N
XLogP1.43
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(prop-2-enylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 78912271
N-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 79280189
N-(3-bromo-4-methoxyphenyl)-2-(prop-2-enylamino)acetamide
CID 79280621
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109010044
2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide
CID 36673040
2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetic acid
CID 115569395
2-(propylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113000933
N-[4-(2-methoxyethoxy)phenyl]-2-(prop-2-enylamino)acetamide
CID 54818436
2-(2-methoxy-5-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508692
2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 51253107
N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-en-1-amine
CID 4719130
2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 109248020

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 78908488) is 2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)acetamide is C=CCNCC(=O)Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is QHGKJIFLSLYXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-5-6-15-9-13(17)16-10-7-11(18-2)14(20-4)12(8-10)19-3/h5,7-8,15H,1,6,9H2,2-4H3,(H,16,17).
What are the key properties of 2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 280.32 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 78908488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).