N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzamide

C24H28N2O6 — CID 4141786

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(CC(=O)NC2CCCC2)c2ccc3c(c2)OCCO3)cc1OC
InChIInChI=1S/C24H28N2O6/c1-29-19-9-7-16(13-21(19)30-2)24(28)26(15-23(27)25-17-5-3-4-6-17)18-8-10-20-22(14-18)32-12-11-31-20/h7-10,13-14,17H,3-6,11-12,15H2,1-2H3,(H,25,27)
InChIKeyULDSSTOIONIFJR-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.18
Rot. Bonds7

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzamide (PubChem CID 4141786) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzamide
PubChem CID4141786
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(CC(=O)NC2CCCC2)c2ccc3c(c2)OCCO3)cc1OC
InChIInChI=1S/C24H28N2O6/c1-29-19-9-7-16(13-21(19)30-2)24(28)26(15-23(27)25-17-5-3-4-6-17)18-8-10-20-22(14-18)32-12-11-31-20/h7-10,13-14,17H,3-6,11-12,15H2,1-2H3,(H,25,27)
InChIKeyULDSSTOIONIFJR-UHFFFAOYSA-N
XLogP3.18
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzamide with MolForge

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Related Compounds

3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylpropanamide
CID 113132978
N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 17457747
N-[2-(cyclohexylamino)-2-oxoethyl]-3,4-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 1153883
N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
CID 650001
N-[2-(cyclopropylamino)-2-oxoethyl]-4-ethoxy-3-methoxy-N-methylbenzamide
CID 86910385
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
N-cyclopentyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide
CID 17453954
2-[[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylacetamide
CID 3182163
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 3213426
2-[[2-[(S)-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfinyl]acetyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclohexylacetamide
CID 98092088
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 648368
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3,4-dimethoxybenzamide
CID 110780516

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzamide (CID 4141786) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)N(CC(=O)NC2CCCC2)c2ccc3c(c2)OCCO3)cc1OC.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzamide?
The InChIKey is ULDSSTOIONIFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-29-19-9-7-16(13-21(19)30-2)24(28)26(15-23(27)25-17-5-3-4-6-17)18-8-10-20-22(14-18)32-12-11-31-20/h7-10,13-14,17H,3-6,11-12,15H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzamide has a molecular weight of 440.50 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 4141786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).