2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopentane-1-carboxamide

C16H22N2O3 — CID 64824329

IUPAC2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1CCCC1N)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H22N2O3/c1-10(18-16(19)12-3-2-4-13(12)17)11-5-6-14-15(9-11)21-8-7-20-14/h5-6,9-10,12-13H,2-4,7-8,17H2,1H3,(H,18,19)
InChIKeyQPAQJBVMPLVWBY-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.76
Rot. Bonds3

About 2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopentane-1-carboxamide

2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 64824329) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID64824329
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1CCCC1N)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H22N2O3/c1-10(18-16(19)12-3-2-4-13(12)17)11-5-6-14-15(9-11)21-8-7-20-14/h5-6,9-10,12-13H,2-4,7-8,17H2,1H3,(H,18,19)
InChIKeyQPAQJBVMPLVWBY-UHFFFAOYSA-N
XLogP1.76
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119688683
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79378610
2-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81355221
2-amino-N-[(1S)-1-phenylethyl]cyclopentane-1-carboxamide
CID 64851455
2-amino-N-[1-(3-hydroxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64823129
2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81366049
2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 64822344
2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]cycloheptane-1-carboxamide
CID 81355949
3-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119699854
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119270831
2-amino-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide
CID 79001242
2-amino-N-[1-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64823175

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopentane-1-carboxamide (CID 64824329) is 2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopentane-1-carboxamide is CC(NC(=O)C1CCCC1N)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is QPAQJBVMPLVWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10(18-16(19)12-3-2-4-13(12)17)11-5-6-14-15(9-11)21-8-7-20-14/h5-6,9-10,12-13H,2-4,7-8,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopentane-1-carboxamide?
2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 64824329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).