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

C15H22N2O4 — CID 78912271

IUPAC2-(prop-2-enylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESC=CCNCC(=O)NCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H22N2O4/c1-5-6-16-10-14(18)17-9-11-7-12(19-2)15(21-4)13(8-11)20-3/h5,7-8,16H,1,6,9-10H2,2-4H3,(H,17,18)
InChIKeyDMHYOKMRHBQBQY-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.10
Rot. Bonds9

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

2-(prop-2-enylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 78912271) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(prop-2-enylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID78912271
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-(prop-2-enylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESC=CCNCC(=O)NCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H22N2O4/c1-5-6-16-10-14(18)17-9-11-7-12(19-2)15(21-4)13(8-11)20-3/h5,7-8,16H,1,6,9-10H2,2-4H3,(H,17,18)
InChIKeyDMHYOKMRHBQBQY-UHFFFAOYSA-N
XLogP1.10
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.10
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

N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-en-1-amine
CID 4719130
2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 78908488
2-(cyclopropylmethylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 119691576
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119763455
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 103292336
4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 61273980
2-(prop-2-enylamino)-N-(thiophen-3-ylmethyl)acetamide
CID 79279865
N-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 78908309
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
2-(cyclooctylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8559125
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylpropanamide
CID 49367786
ethyl 2-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]sulfanylacetate
CID 9286947

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(prop-2-enylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 78912271) is 2-(prop-2-enylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(prop-2-enylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(prop-2-enylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is C=CCNCC(=O)NCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-(prop-2-enylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is DMHYOKMRHBQBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-5-6-16-10-14(18)17-9-11-7-12(19-2)15(21-4)13(8-11)20-3/h5,7-8,16H,1,6,9-10H2,2-4H3,(H,17,18).
What are the key properties of 2-(prop-2-enylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-(prop-2-enylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 294.35 g/mol, XLogP of 1.10, 9 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)methyl]acetamide is sourced from PubChem (CID 78912271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).