2-[(4-heptoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide

C26H34N2O4 — CID 4950696

IUPAC2-[(4-heptoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C26H34N2O4/c1-2-3-4-5-8-17-31-21-15-13-20(14-16-21)25(29)28-24-12-7-6-11-23(24)26(30)27-19-22-10-9-18-32-22/h6-7,11-16,22H,2-5,8-10,17-19H2,1H3,(H,27,30)(H,28,29)
InChIKeyQNPXROLGXSJFOE-UHFFFAOYSA-N
MW438.57 g/mol
LogP5.20
Rot. Bonds12

About 2-[(4-heptoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide

2-[(4-heptoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 4950696) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-[(4-heptoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(4-heptoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID4950696
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Name2-[(4-heptoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C26H34N2O4/c1-2-3-4-5-8-17-31-21-15-13-20(14-16-21)25(29)28-24-12-7-6-11-23(24)26(30)27-19-22-10-9-18-32-22/h6-7,11-16,22H,2-5,8-10,17-19H2,1H3,(H,27,30)(H,28,29)
InChIKeyQNPXROLGXSJFOE-UHFFFAOYSA-N
XLogP5.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-2-[(2-pentoxybenzoyl)amino]benzamide
CID 9232358
N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 40768505
N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933761
N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 42427228
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide
CID 41145376
N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933656
2-[(3-butoxybenzoyl)carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 4957114
2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013852
N-[[(2R)-oxolan-2-yl]methylcarbamothioyl]-4-pentoxybenzamide
CID 8714560
3-ethoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 24506289
N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 43013842

Frequently Asked Questions

What is the IUPAC name of 2-[(4-heptoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[(4-heptoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (CID 4950696) is 2-[(4-heptoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[(4-heptoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[(4-heptoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is CCCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 2-[(4-heptoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is QNPXROLGXSJFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-2-3-4-5-8-17-31-21-15-13-20(14-16-21)25(29)28-24-12-7-6-11-23(24)26(30)27-19-22-10-9-18-32-22/h6-7,11-16,22H,2-5,8-10,17-19H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 2-[(4-heptoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
2-[(4-heptoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 438.57 g/mol, XLogP of 5.20, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-heptoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 4950696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).