3-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide

C15H20N2O3 — CID 66030886

IUPAC3-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide
SMILESCC1(C)Oc2ccc(NC(=O)C3CCC(N)C3)cc2O1
InChIInChI=1S/C15H20N2O3/c1-15(2)19-12-6-5-11(8-13(12)20-15)17-14(18)9-3-4-10(16)7-9/h5-6,8-10H,3-4,7,16H2,1-2H3,(H,17,18)
InChIKeyAEITVLTXBQFMPT-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.26
Rot. Bonds2

About 3-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide

3-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide (PubChem CID 66030886) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide
PubChem CID66030886
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide
SMILESCC1(C)Oc2ccc(NC(=O)C3CCC(N)C3)cc2O1
InChIInChI=1S/C15H20N2O3/c1-15(2)19-12-6-5-11(8-13(12)20-15)17-14(18)9-3-4-10(16)7-9/h5-6,8-10H,3-4,7,16H2,1-2H3,(H,17,18)
InChIKeyAEITVLTXBQFMPT-UHFFFAOYSA-N
XLogP2.26
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 66031472
3-amino-N-(1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119668947
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 78983233
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119728515
3-amino-N-[3-(dimethylamino)-4-methylphenyl]cyclopentane-1-carboxamide
CID 115377268
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
5-[(3-aminocyclopentanecarbonyl)amino]-2-methylbenzamide;hydrochloride
CID 119771531
(2S)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94210182
3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030664
cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide
CID 133116598

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide (CID 66030886) is 3-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide is CC1(C)Oc2ccc(NC(=O)C3CCC(N)C3)cc2O1.
What is the InChIKey of 3-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide?
The InChIKey is AEITVLTXBQFMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2)19-12-6-5-11(8-13(12)20-15)17-14(18)9-3-4-10(16)7-9/h5-6,8-10H,3-4,7,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide?
3-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66030886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).