3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide

C15H20N2O4 — CID 108935164

IUPAC3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide
SMILESC=C(C)C(=O)NCCNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H20N2O4/c1-10(2)14(18)16-7-8-17-15(19)11-5-6-12(20-3)13(9-11)21-4/h5-6,9H,1,7-8H2,2-4H3,(H,16,18)(H,17,19)
InChIKeyVOTQTAOEPOAYPN-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.13
Rot. Bonds7

About 3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide

3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide (PubChem CID 108935164) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide
PubChem CID108935164
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide
SMILESC=C(C)C(=O)NCCNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H20N2O4/c1-10(2)14(18)16-7-8-17-15(19)11-5-6-12(20-3)13(9-11)21-4/h5-6,9H,1,7-8H2,2-4H3,(H,16,18)(H,17,19)
InChIKeyVOTQTAOEPOAYPN-UHFFFAOYSA-N
XLogP1.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.13
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-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
N-[2-[(2-cyanoacetyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 108537248
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361
N-[2-[[2-(4-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide
CID 108935130
N-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide
CID 4880220
3,4-dimethoxy-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]benzamide
CID 108537745

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide (CID 108935164) is 3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide is C=C(C)C(=O)NCCNC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide?
The InChIKey is VOTQTAOEPOAYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(2)14(18)16-7-8-17-15(19)11-5-6-12(20-3)13(9-11)21-4/h5-6,9H,1,7-8H2,2-4H3,(H,16,18)(H,17,19).
What are the key properties of 3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide?
3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide has a molecular weight of 292.34 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide is sourced from PubChem (CID 108935164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).