1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopentane-1-carboxamide

C24H28N2O5 — CID 34873776

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopentane-1-carboxamide
SMILESCCNC(=O)COc1cccc(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)c1
InChIInChI=1S/C24H28N2O5/c1-2-25-22(27)16-31-19-7-5-6-18(15-19)26-23(28)24(10-3-4-11-24)17-8-9-20-21(14-17)30-13-12-29-20/h5-9,14-15H,2-4,10-13,16H2,1H3,(H,25,27)(H,26,28)
InChIKeyCYGFBWKOZNZXMY-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.42
Rot. Bonds7

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopentane-1-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopentane-1-carboxamide (PubChem CID 34873776) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopentane-1-carboxamide
PubChem CID34873776
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopentane-1-carboxamide
SMILESCCNC(=O)COc1cccc(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)c1
InChIInChI=1S/C24H28N2O5/c1-2-25-22(27)16-31-19-7-5-6-18(15-19)26-23(28)24(10-3-4-11-24)17-8-9-20-21(14-17)30-13-12-29-20/h5-9,14-15H,2-4,10-13,16H2,1H3,(H,25,27)(H,26,28)
InChIKeyCYGFBWKOZNZXMY-UHFFFAOYSA-N
XLogP3.42
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 31816680
[2-(ethylcarbamoylamino)-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate
CID 24531484
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 113198749
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide
CID 55983561
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 113198740
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-5-(propanoylamino)phenyl]cyclopentane-1-carboxamide
CID 55779910
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 55470208
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 39696834
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 18155389
N-ethyl-2-[3-(methylamino)phenoxy]acetamide
CID 143296990
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198536
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 55743758

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopentane-1-carboxamide (CID 34873776) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopentane-1-carboxamide is CCNC(=O)COc1cccc(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)c1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopentane-1-carboxamide?
The InChIKey is CYGFBWKOZNZXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-2-25-22(27)16-31-19-7-5-6-18(15-19)26-23(28)24(10-3-4-11-24)17-8-9-20-21(14-17)30-13-12-29-20/h5-9,14-15H,2-4,10-13,16H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopentane-1-carboxamide?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopentane-1-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 34873776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).