N-[2-[4,5-dimethoxy-2-[(E)-3-oxoprop-1-enyl]phenyl]ethyl]prop-2-enamide

C16H19NO4 — CID 11323718

IUPACN-[2-[4,5-dimethoxy-2-[(E)-3-oxoprop-1-enyl]phenyl]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1cc(OC)c(OC)cc1/C=C/C=O
InChIInChI=1S/C16H19NO4/c1-4-16(19)17-8-7-13-11-15(21-3)14(20-2)10-12(13)6-5-9-18/h4-6,9-11H,1,7-8H2,2-3H3,(H,17,19)/b6-5+
InChIKeyJYVCUPJUYHNMQR-AATRIKPKSA-N
MW289.33 g/mol
LogP1.76
Rot. Bonds8

About N-[2-[4,5-dimethoxy-2-[(E)-3-oxoprop-1-enyl]phenyl]ethyl]prop-2-enamide

N-[2-[4,5-dimethoxy-2-[(E)-3-oxoprop-1-enyl]phenyl]ethyl]prop-2-enamide (PubChem CID 11323718) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[2-[4,5-dimethoxy-2-[(E)-3-oxoprop-1-enyl]phenyl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[4,5-dimethoxy-2-[(E)-3-oxoprop-1-enyl]phenyl]ethyl]prop-2-enamide
PubChem CID11323718
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-[2-[4,5-dimethoxy-2-[(E)-3-oxoprop-1-enyl]phenyl]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1cc(OC)c(OC)cc1/C=C/C=O
InChIInChI=1S/C16H19NO4/c1-4-16(19)17-8-7-13-11-15(21-3)14(20-2)10-12(13)6-5-9-18/h4-6,9-11H,1,7-8H2,2-3H3,(H,17,19)/b6-5+
InChIKeyJYVCUPJUYHNMQR-AATRIKPKSA-N
XLogP1.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4,5-dimethoxy-2-[(E)-3-oxoprop-1-enyl]phenyl]ethyl]benzamide
CID 11772139
N-[2-(2-ethenyl-4,5-dimethoxyphenyl)ethyl]acetamide
CID 15381971
N-[2-(4-buta-1,3-dienyl-2,5-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide
CID 171600045
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]prop-2-enamide
CID 102464836
N-[2-(2-acetyl-4,5-dimethoxyphenyl)ethyl]but-2-enamide
CID 71383843
(E)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide
CID 24617380
1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 115169404
(E)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 27447138
4,5-dimethoxy-2-(3-oxopropyl)benzaldehyde
CID 117317867
N-[(2-ethenyl-4,5-dimethoxyphenyl)methyl]ethanamine
CID 107430238
methyl N-[2-[2-[[4,5-dimethoxy-2-[2-(methoxycarbonylamino)ethyl]phenyl]disulfanyl]-4,5-dimethoxyphenyl]ethyl]carbamate
CID 101093576
tert-butyl 2-[4-[2-(prop-2-enoylamino)ethyl]phenyl]acetate
CID 159935899

Frequently Asked Questions

What is the IUPAC name of N-[2-[4,5-dimethoxy-2-[(E)-3-oxoprop-1-enyl]phenyl]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[4,5-dimethoxy-2-[(E)-3-oxoprop-1-enyl]phenyl]ethyl]prop-2-enamide (CID 11323718) is N-[2-[4,5-dimethoxy-2-[(E)-3-oxoprop-1-enyl]phenyl]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[4,5-dimethoxy-2-[(E)-3-oxoprop-1-enyl]phenyl]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[4,5-dimethoxy-2-[(E)-3-oxoprop-1-enyl]phenyl]ethyl]prop-2-enamide is C=CC(=O)NCCc1cc(OC)c(OC)cc1/C=C/C=O.
What is the InChIKey of N-[2-[4,5-dimethoxy-2-[(E)-3-oxoprop-1-enyl]phenyl]ethyl]prop-2-enamide?
The InChIKey is JYVCUPJUYHNMQR-AATRIKPKSA-N. The full InChI is InChI=1S/C16H19NO4/c1-4-16(19)17-8-7-13-11-15(21-3)14(20-2)10-12(13)6-5-9-18/h4-6,9-11H,1,7-8H2,2-3H3,(H,17,19)/b6-5+.
What are the key properties of N-[2-[4,5-dimethoxy-2-[(E)-3-oxoprop-1-enyl]phenyl]ethyl]prop-2-enamide?
N-[2-[4,5-dimethoxy-2-[(E)-3-oxoprop-1-enyl]phenyl]ethyl]prop-2-enamide has a molecular weight of 289.33 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,5-dimethoxy-2-[(E)-3-oxoprop-1-enyl]phenyl]ethyl]prop-2-enamide is sourced from PubChem (CID 11323718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).