[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)acetate

C21H23NO4 — CID 15210967

IUPAC[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)acetate
SMILESC=CCN(CC=C)C(=O)COC(=O)Cc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C21H23NO4/c1-4-10-22(11-5-2)20(23)15-26-21(24)13-16-6-7-18-14-19(25-3)9-8-17(18)12-16/h4-9,12,14H,1-2,10-11,13,15H2,3H3
InChIKeyWEHVQAFYOWULMK-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.13
Rot. Bonds9

About [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)acetate

[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)acetate (PubChem CID 15210967) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)acetate.

Molecular Properties

Compound Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)acetate
PubChem CID15210967
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)acetate
SMILESC=CCN(CC=C)C(=O)COC(=O)Cc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C21H23NO4/c1-4-10-22(11-5-2)20(23)15-26-21(24)13-16-6-7-18-14-19(25-3)9-8-17(18)12-16/h4-9,12,14H,1-2,10-11,13,15H2,3H3
InChIKeyWEHVQAFYOWULMK-UHFFFAOYSA-N
XLogP3.13
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 9346946
2-chloroethyl 2-(6-methoxynaphthalen-2-yl)acetate;methane
CID 67768971
2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide
CID 720349
2-(6-methoxynaphthalen-2-yl)-N,N-bis(prop-2-enyl)propanamide
CID 73441725
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate
CID 7607594
4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide
CID 119299364
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate
CID 9011158
2-methoxy-6-prop-2-enylnaphthalene
CID 55253268
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (E)-but-2-enoate
CID 9080710
3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108868165
1-(6-methoxynaphthalen-2-yl)propan-2-one;propane
CID 144625735

Frequently Asked Questions

What is the IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)acetate?
The IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)acetate (CID 15210967) is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)acetate.
What is the SMILES notation for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)acetate?
The canonical SMILES for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)acetate is C=CCN(CC=C)C(=O)COC(=O)Cc1ccc2cc(OC)ccc2c1.
What is the InChIKey of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)acetate?
The InChIKey is WEHVQAFYOWULMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-4-10-22(11-5-2)20(23)15-26-21(24)13-16-6-7-18-14-19(25-3)9-8-17(18)12-16/h4-9,12,14H,1-2,10-11,13,15H2,3H3.
What are the key properties of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)acetate?
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)acetate has a molecular weight of 353.42 g/mol, XLogP of 3.13, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)acetate is sourced from PubChem (CID 15210967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).