N-[(3-methoxy-4-propoxyphenyl)methyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-carboxamide

C24H28N2O5 — CID 55332708

IUPACN-[(3-methoxy-4-propoxyphenyl)methyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-carboxamide
SMILESCCCOc1ccc(CN(CCC)C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1OC
InChIInChI=1S/C24H28N2O5/c1-5-11-26(15-16-7-10-20(31-12-6-2)21(13-16)30-4)22(27)17-8-9-18-19(14-17)24(29)25(3)23(18)28/h7-10,13-14H,5-6,11-12,15H2,1-4H3
InChIKeySFDRAGAXDMNFCS-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.76
Rot. Bonds9

About N-[(3-methoxy-4-propoxyphenyl)methyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-carboxamide

N-[(3-methoxy-4-propoxyphenyl)methyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-carboxamide (PubChem CID 55332708) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[(3-methoxy-4-propoxyphenyl)methyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-propoxyphenyl)methyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-carboxamide
PubChem CID55332708
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC NameN-[(3-methoxy-4-propoxyphenyl)methyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-carboxamide
SMILESCCCOc1ccc(CN(CCC)C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1OC
InChIInChI=1S/C24H28N2O5/c1-5-11-26(15-16-7-10-20(31-12-6-2)21(13-16)30-4)22(27)17-8-9-18-19(14-17)24(29)25(3)23(18)28/h7-10,13-14H,5-6,11-12,15H2,1-4H3
InChIKeySFDRAGAXDMNFCS-UHFFFAOYSA-N
XLogP3.76
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide
CID 55332539
N-[(3-methoxy-4-propoxyphenyl)methyl]-6-oxo-N,1-dipropylpyridazine-3-carboxamide
CID 55332644
N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(propanoylamino)-N-propylbenzamide
CID 55874316
2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332838
2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332598
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119268681
(2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide
CID 119268690
2-(3-methoxy-4-methylphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55455967
N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propyl-2-(trifluoromethylsulfanyl)acetamide
CID 55666830
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332541
N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide
CID 55502855
2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119684727

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-carboxamide?
The IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-carboxamide (CID 55332708) is N-[(3-methoxy-4-propoxyphenyl)methyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-carboxamide.
What is the SMILES notation for N-[(3-methoxy-4-propoxyphenyl)methyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-carboxamide?
The canonical SMILES for N-[(3-methoxy-4-propoxyphenyl)methyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-carboxamide is CCCOc1ccc(CN(CCC)C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-propoxyphenyl)methyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-carboxamide?
The InChIKey is SFDRAGAXDMNFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-5-11-26(15-16-7-10-20(31-12-6-2)21(13-16)30-4)22(27)17-8-9-18-19(14-17)24(29)25(3)23(18)28/h7-10,13-14H,5-6,11-12,15H2,1-4H3.
What are the key properties of N-[(3-methoxy-4-propoxyphenyl)methyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-carboxamide?
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 3.76, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propoxyphenyl)methyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-carboxamide is sourced from PubChem (CID 55332708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).