N-nonyl-1-oxoisochromene-3-carboxamide

C19H25NO3 — CID 3626475

IUPACN-nonyl-1-oxoisochromene-3-carboxamide
SMILESCCCCCCCCCNC(=O)c1cc2ccccc2c(=O)o1
InChIInChI=1S/C19H25NO3/c1-2-3-4-5-6-7-10-13-20-18(21)17-14-15-11-8-9-12-16(15)19(22)23-17/h8-9,11-12,14H,2-7,10,13H2,1H3,(H,20,21)
InChIKeyQEXUEYFUANIMKO-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.27
Rot. Bonds9

About N-nonyl-1-oxoisochromene-3-carboxamide

N-nonyl-1-oxoisochromene-3-carboxamide (PubChem CID 3626475) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is N-nonyl-1-oxoisochromene-3-carboxamide.

Molecular Properties

Compound NameN-nonyl-1-oxoisochromene-3-carboxamide
PubChem CID3626475
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC NameN-nonyl-1-oxoisochromene-3-carboxamide
SMILESCCCCCCCCCNC(=O)c1cc2ccccc2c(=O)o1
InChIInChI=1S/C19H25NO3/c1-2-3-4-5-6-7-10-13-20-18(21)17-14-15-11-8-9-12-16(15)19(22)23-17/h8-9,11-12,14H,2-7,10,13H2,1H3,(H,20,21)
InChIKeyQEXUEYFUANIMKO-UHFFFAOYSA-N
XLogP4.27
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(Cyclopentylamino)-2-oxoethyl] benzoate
CID 2346228
[2-(Cycloheptylamino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 2431635
[2-(Cyclopentylamino)-2-oxoethyl] 4-ethylbenzoate
CID 2433158
[2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2491225
[(2-Phenylethyl)carbamoyl]methyl 3,4-dimethylbenzoate
CID 2715809
[1-[2-(Cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] benzoate
CID 3947743
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,4-dimethylbenzoate
CID 4121931
[2-Oxo-2-(1-phenylethylamino)ethyl] 3,4-dimethylbenzoate
CID 4802847
N-benzyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
CID 4875432
N,N-dibutyl-1-oxo-1H-isochromene-3-carboxamide
CID 1742617
3-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-1H-isochromen-1-one
CID 3243372
N-benzyl-N-butyl-4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxamide
CID 15990734

Frequently Asked Questions

What is the IUPAC name of N-nonyl-1-oxoisochromene-3-carboxamide?
The IUPAC name of N-nonyl-1-oxoisochromene-3-carboxamide (CID 3626475) is N-nonyl-1-oxoisochromene-3-carboxamide.
What is the SMILES notation for N-nonyl-1-oxoisochromene-3-carboxamide?
The canonical SMILES for N-nonyl-1-oxoisochromene-3-carboxamide is CCCCCCCCCNC(=O)c1cc2ccccc2c(=O)o1.
What is the InChIKey of N-nonyl-1-oxoisochromene-3-carboxamide?
The InChIKey is QEXUEYFUANIMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-2-3-4-5-6-7-10-13-20-18(21)17-14-15-11-8-9-12-16(15)19(22)23-17/h8-9,11-12,14H,2-7,10,13H2,1H3,(H,20,21).
What are the key properties of N-nonyl-1-oxoisochromene-3-carboxamide?
N-nonyl-1-oxoisochromene-3-carboxamide has a molecular weight of 315.41 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonyl-1-oxoisochromene-3-carboxamide is sourced from PubChem (CID 3626475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).