N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]prop-2-enamide

C15H20N2O4 — CID 102464836

IUPACN-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCNC(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H20N2O4/c1-4-14(18)16-7-8-17-15(19)10-11-5-6-12(20-2)13(9-11)21-3/h4-6,9H,1,7-8,10H2,2-3H3,(H,16,18)(H,17,19)
InChIKeyBJNGDLFGWPMKFT-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.66
Rot. Bonds8

About N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]prop-2-enamide

N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]prop-2-enamide (PubChem CID 102464836) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]prop-2-enamide
PubChem CID102464836
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC NameN-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCNC(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H20N2O4/c1-4-14(18)16-7-8-17-15(19)10-11-5-6-12(20-2)13(9-11)21-3/h4-6,9H,1,7-8,10H2,2-3H3,(H,16,18)(H,17,19)
InChIKeyBJNGDLFGWPMKFT-UHFFFAOYSA-N
XLogP0.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]acetamide
CID 108575203
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide
CID 108542599
2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 43600817
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
phenyl N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]carbamate
CID 108575202
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39023791
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide
CID 108538456
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide
CID 110288813
2-(3,4-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide
CID 16889439

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]prop-2-enamide (CID 102464836) is N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]prop-2-enamide is C=CC(=O)NCCNC(=O)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]prop-2-enamide?
The InChIKey is BJNGDLFGWPMKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-14(18)16-7-8-17-15(19)10-11-5-6-12(20-2)13(9-11)21-3/h4-6,9H,1,7-8,10H2,2-3H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]prop-2-enamide?
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]prop-2-enamide has a molecular weight of 292.34 g/mol, XLogP of 0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]prop-2-enamide is sourced from PubChem (CID 102464836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).