ethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate

C28H31NO3 — CID 144557460

IUPACethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate
SMILESCC.CCNC(=O)c1ccc2ccccc2c1.CCOC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C13H13NO.C13H12O2.C2H6/c1-2-14-13(15)12-8-7-10-5-3-4-6-11(10)9-12;1-2-15-13(14)12-8-7-10-5-3-4-6-11(10)9-12;1-2/h3-9H,2H2,1H3,(H,14,15);3-9H,2H2,1H3;1-2H3
InChIKeyZPJCHCYYLPMIOH-UHFFFAOYSA-N
MW429.56 g/mol
LogP6.63
Rot. Bonds4

About ethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate

ethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate (PubChem CID 144557460) has the molecular formula C28H31NO3 and a molecular weight of 429.56 g/mol. Its IUPAC name is ethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate.

Molecular Properties

Compound Nameethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate
PubChem CID144557460
Molecular FormulaC28H31NO3
Molecular Weight429.56 g/mol
Exact Mass429.23
IUPAC Nameethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate
SMILESCC.CCNC(=O)c1ccc2ccccc2c1.CCOC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C13H13NO.C13H12O2.C2H6/c1-2-14-13(15)12-8-7-10-5-3-4-6-11(10)9-12;1-2-15-13(14)12-8-7-10-5-3-4-6-11(10)9-12;1-2/h3-9H,2H2,1H3,(H,14,15);3-9H,2H2,1H3;1-2H3
InChIKeyZPJCHCYYLPMIOH-UHFFFAOYSA-N
XLogP6.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
ethane;naphthalene-2-carbohydrazide
CID 91601372
N-propylnaphthalene-2-carboxamide
CID 6624536
ethane;methyl naphthalene-2-carboxylate
CID 143895262
ethyl 2-(naphthalene-2-carbonylamino)prop-2-enoate
CID 167435011
ethyl 6-aminonaphthalene-2-carboxylate
CID 58111738
N-(2-amino-2-ethylbutyl)naphthalene-2-carboxamide
CID 81485257
ethyl 6,7-dichloronaphthalene-2-carboxylate
CID 10588016
ethyl 6-iodonaphthalene-2-carboxylate
CID 58151998
N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide
CID 9022506
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881303
N-pentylnaphthalene-2-carboxamide
CID 91722098

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate?
The IUPAC name of ethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate (CID 144557460) is ethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate.
What is the SMILES notation for ethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate?
The canonical SMILES for ethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate is CC.CCNC(=O)c1ccc2ccccc2c1.CCOC(=O)c1ccc2ccccc2c1.
What is the InChIKey of ethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate?
The InChIKey is ZPJCHCYYLPMIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO.C13H12O2.C2H6/c1-2-14-13(15)12-8-7-10-5-3-4-6-11(10)9-12;1-2-15-13(14)12-8-7-10-5-3-4-6-11(10)9-12;1-2/h3-9H,2H2,1H3,(H,14,15);3-9H,2H2,1H3;1-2H3.
What are the key properties of ethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate?
ethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate has a molecular weight of 429.56 g/mol, XLogP of 6.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate is sourced from PubChem (CID 144557460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).