ethyl 2-methyl-4-[naphthalen-1-yl(prop-2-enyl)amino]butanoate

C20H25NO2 — CID 168918647

IUPACethyl 2-methyl-4-[naphthalen-1-yl(prop-2-enyl)amino]butanoate
SMILESC=CCN(CCC(C)C(=O)OCC)c1cccc2ccccc12
InChIInChI=1S/C20H25NO2/c1-4-14-21(15-13-16(3)20(22)23-5-2)19-12-8-10-17-9-6-7-11-18(17)19/h4,6-12,16H,1,5,13-15H2,2-3H3
InChIKeyAVCIRSMMKWWDNX-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.42
Rot. Bonds8

About ethyl 2-methyl-4-[naphthalen-1-yl(prop-2-enyl)amino]butanoate

ethyl 2-methyl-4-[naphthalen-1-yl(prop-2-enyl)amino]butanoate (PubChem CID 168918647) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is ethyl 2-methyl-4-[naphthalen-1-yl(prop-2-enyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-methyl-4-[naphthalen-1-yl(prop-2-enyl)amino]butanoate
PubChem CID168918647
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Nameethyl 2-methyl-4-[naphthalen-1-yl(prop-2-enyl)amino]butanoate
SMILESC=CCN(CCC(C)C(=O)OCC)c1cccc2ccccc12
InChIInChI=1S/C20H25NO2/c1-4-14-21(15-13-16(3)20(22)23-5-2)19-12-8-10-17-9-6-7-11-18(17)19/h4,6-12,16H,1,5,13-15H2,2-3H3
InChIKeyAVCIRSMMKWWDNX-UHFFFAOYSA-N
XLogP4.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-[naphthalen-1-yl(prop-2-enyl)amino]butanoate?
The IUPAC name of ethyl 2-methyl-4-[naphthalen-1-yl(prop-2-enyl)amino]butanoate (CID 168918647) is ethyl 2-methyl-4-[naphthalen-1-yl(prop-2-enyl)amino]butanoate.
What is the SMILES notation for ethyl 2-methyl-4-[naphthalen-1-yl(prop-2-enyl)amino]butanoate?
The canonical SMILES for ethyl 2-methyl-4-[naphthalen-1-yl(prop-2-enyl)amino]butanoate is C=CCN(CCC(C)C(=O)OCC)c1cccc2ccccc12.
What is the InChIKey of ethyl 2-methyl-4-[naphthalen-1-yl(prop-2-enyl)amino]butanoate?
The InChIKey is AVCIRSMMKWWDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-4-14-21(15-13-16(3)20(22)23-5-2)19-12-8-10-17-9-6-7-11-18(17)19/h4,6-12,16H,1,5,13-15H2,2-3H3.
What are the key properties of ethyl 2-methyl-4-[naphthalen-1-yl(prop-2-enyl)amino]butanoate?
ethyl 2-methyl-4-[naphthalen-1-yl(prop-2-enyl)amino]butanoate has a molecular weight of 311.43 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-[naphthalen-1-yl(prop-2-enyl)amino]butanoate is sourced from PubChem (CID 168918647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).