3-ethoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]naphthalene-2-carboxamide

C25H26N2O4 — CID 24506289

IUPAC3-ethoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]naphthalene-2-carboxamide
SMILESCCOc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C25H26N2O4/c1-2-30-23-15-18-9-4-3-8-17(18)14-21(23)25(29)27-22-12-6-5-11-20(22)24(28)26-16-19-10-7-13-31-19/h3-6,8-9,11-12,14-15,19H,2,7,10,13,16H2,1H3,(H,26,28)(H,27,29)
InChIKeyQTPMDXBWEAXCEG-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.40
Rot. Bonds7

About 3-ethoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]naphthalene-2-carboxamide

3-ethoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]naphthalene-2-carboxamide (PubChem CID 24506289) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]naphthalene-2-carboxamide
PubChem CID24506289
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name3-ethoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]naphthalene-2-carboxamide
SMILESCCOc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C25H26N2O4/c1-2-30-23-15-18-9-4-3-8-17(18)14-21(23)25(29)27-22-12-6-5-11-20(22)24(28)26-16-19-10-7-13-31-19/h3-6,8-9,11-12,14-15,19H,2,7,10,13,16H2,1H3,(H,26,28)(H,27,29)
InChIKeyQTPMDXBWEAXCEG-UHFFFAOYSA-N
XLogP4.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-methylpropoxy)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4945492
2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 9206549
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633
2-[(2-naphthalen-2-yloxyacetyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41320310
N-[[(2S)-oxolan-2-yl]methyl]-2-[(2-pentoxybenzoyl)amino]benzamide
CID 9232358
2-(2-naphthalen-2-yloxybutanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 46771645
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-ethoxynaphthalene-2-carboxylate
CID 42920972
2-[(4-heptoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4950696
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1327378
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365
2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 2989154

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of 3-ethoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]naphthalene-2-carboxamide (CID 24506289) is 3-ethoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-ethoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-ethoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]naphthalene-2-carboxamide is CCOc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)NCC1CCCO1.
What is the InChIKey of 3-ethoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is QTPMDXBWEAXCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-2-30-23-15-18-9-4-3-8-17(18)14-21(23)25(29)27-22-12-6-5-11-20(22)24(28)26-16-19-10-7-13-31-19/h3-6,8-9,11-12,14-15,19H,2,7,10,13,16H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 3-ethoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]naphthalene-2-carboxamide?
3-ethoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 24506289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).