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

C17H24N2O3 — CID 119270835

IUPAC1-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(N)CCCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H24N2O3/c1-12(19-16(20)17(18)7-3-2-4-8-17)13-5-6-14-15(11-13)22-10-9-21-14/h5-6,11-12H,2-4,7-10,18H2,1H3,(H,19,20)
InChIKeyGSDZDDUMSIXGEU-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.30
Rot. Bonds3

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

1-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 119270835) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID119270835
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(N)CCCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H24N2O3/c1-12(19-16(20)17(18)7-3-2-4-8-17)13-5-6-14-15(11-13)22-10-9-21-14/h5-6,11-12H,2-4,7-10,18H2,1H3,(H,19,20)
InChIKeyGSDZDDUMSIXGEU-UHFFFAOYSA-N
XLogP2.30
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 65463806
1-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide
CID 95146297
1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81350015
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]adamantane-1-carboxamide
CID 7462613
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-1-methylsulfonylcyclopentane-1-carboxamide
CID 95309048
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 46979727
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 92612308
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 46451961
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea
CID 55473711
1-amino-N-[1-(4-ethylphenyl)ethyl]cyclopentane-1-carboxamide
CID 60866681
1-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 60867027
1-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide
CID 119333676

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide (CID 119270835) is 1-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide is CC(NC(=O)C1(N)CCCCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is GSDZDDUMSIXGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(19-16(20)17(18)7-3-2-4-8-17)13-5-6-14-15(11-13)22-10-9-21-14/h5-6,11-12H,2-4,7-10,18H2,1H3,(H,19,20).
What are the key properties of 1-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide?
1-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119270835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).