N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide

C14H19NO4 — CID 51346106

IUPACN-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H19NO4/c1-6-13(16)15-9(2)10-7-11(17-3)14(19-5)12(8-10)18-4/h6-9H,1H2,2-5H3,(H,15,16)
InChIKeyAQLVDSGXPXEGHJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.08
Rot. Bonds6

About N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide

N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide (PubChem CID 51346106) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide
PubChem CID51346106
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H19NO4/c1-6-13(16)15-9(2)10-7-11(17-3)14(19-5)12(8-10)18-4/h6-9H,1H2,2-5H3,(H,15,16)
InChIKeyAQLVDSGXPXEGHJ-UHFFFAOYSA-N
XLogP2.08
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55714675
N-[(1S)-1-(3,5-difluorophenyl)ethyl]prop-2-enamide
CID 167781770
3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide
CID 119720284
(E)-3-(5-bromo-2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide
CID 55709602
N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine
CID 82684824
2-[1-(3,4,5-trimethoxyphenyl)ethylamino]propanamide
CID 43545300
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287627
N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 101382734
1-(dicyclopropylmethyl)-1-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 49475188
4-[1-(3,4-dimethoxyphenyl)ethylamino]-4-oxobut-2-enoic acid
CID 61172423
N-methyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 105001000
3-iodo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 46467235

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide?
The IUPAC name of N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide (CID 51346106) is N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide?
The canonical SMILES for N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide is C=CC(=O)NC(C)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide?
The InChIKey is AQLVDSGXPXEGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-6-13(16)15-9(2)10-7-11(17-3)14(19-5)12(8-10)18-4/h6-9H,1H2,2-5H3,(H,15,16).
What are the key properties of N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide?
N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide has a molecular weight of 265.31 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 51346106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).