1-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)acetyl]amino]cyclopentane-1-carboxamide

C17H23N3O4 — CID 91837261

IUPAC1-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)acetyl]amino]cyclopentane-1-carboxamide
SMILESCN(C)C(C(=O)NC1(C(N)=O)CCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H23N3O4/c1-20(2)14(11-5-6-12-13(9-11)24-10-23-12)15(21)19-17(16(18)22)7-3-4-8-17/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H2,18,22)(H,19,21)
InChIKeyJADBDTWLKMWPIZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.93
Rot. Bonds5

About 1-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)acetyl]amino]cyclopentane-1-carboxamide

1-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)acetyl]amino]cyclopentane-1-carboxamide (PubChem CID 91837261) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)acetyl]amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)acetyl]amino]cyclopentane-1-carboxamide
PubChem CID91837261
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name1-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)acetyl]amino]cyclopentane-1-carboxamide
SMILESCN(C)C(C(=O)NC1(C(N)=O)CCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H23N3O4/c1-20(2)14(11-5-6-12-13(9-11)24-10-23-12)15(21)19-17(16(18)22)7-3-4-8-17/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H2,18,22)(H,19,21)
InChIKeyJADBDTWLKMWPIZ-UHFFFAOYSA-N
XLogP0.93
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide
CID 72869919
(2R)-2-(1,3-benzodioxol-5-yl)-N-(cyclohexen-1-ylmethyl)-2-(dimethylamino)acetamide
CID 124855091
2-(1,3-benzodioxol-5-yl)-N-(cyclohexen-1-ylmethyl)-2-(dimethylamino)acetamide
CID 91837794
methyl 1-[amino(1,3-benzodioxol-5-yl)methyl]cyclobutane-1-carboxylate
CID 116944302
2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91798352
3-(1,3-benzodioxol-5-yl)-3-(dimethylamino)propanoic acid
CID 64528353
2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide
CID 119061342
1-[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]-N-methylcyclohexane-1-carboxamide
CID 97203905
1,3-benzodioxol-5-yl(dimethylamino)methanol
CID 116909534
(2R)-2-amino-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]propanamide
CID 93043833
2-[1-(1,3-benzodioxol-5-yl)ethylamino]propanamide
CID 43403044
(2R)-2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(dimethylamino)acetamide
CID 126443756

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)acetyl]amino]cyclopentane-1-carboxamide?
The IUPAC name of 1-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)acetyl]amino]cyclopentane-1-carboxamide (CID 91837261) is 1-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)acetyl]amino]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)acetyl]amino]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)acetyl]amino]cyclopentane-1-carboxamide is CN(C)C(C(=O)NC1(C(N)=O)CCCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)acetyl]amino]cyclopentane-1-carboxamide?
The InChIKey is JADBDTWLKMWPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-20(2)14(11-5-6-12-13(9-11)24-10-23-12)15(21)19-17(16(18)22)7-3-4-8-17/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H2,18,22)(H,19,21).
What are the key properties of 1-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)acetyl]amino]cyclopentane-1-carboxamide?
1-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)acetyl]amino]cyclopentane-1-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)acetyl]amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 91837261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).