1-amino-N-(1,3-benzodioxol-5-ylmethyl)cyclohexane-1-carboxamide

C15H20N2O3 — CID 39058403

IUPAC1-amino-N-(1,3-benzodioxol-5-ylmethyl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCc2ccc3c(c2)OCO3)CCCCC1
InChIInChI=1S/C15H20N2O3/c16-15(6-2-1-3-7-15)14(18)17-9-11-4-5-12-13(8-11)20-10-19-12/h4-5,8H,1-3,6-7,9-10,16H2,(H,17,18)
InChIKeyOBDQYXCVGFNNBG-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.69
Rot. Bonds3

About 1-amino-N-(1,3-benzodioxol-5-ylmethyl)cyclohexane-1-carboxamide

1-amino-N-(1,3-benzodioxol-5-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 39058403) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-amino-N-(1,3-benzodioxol-5-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(1,3-benzodioxol-5-ylmethyl)cyclohexane-1-carboxamide
PubChem CID39058403
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-amino-N-(1,3-benzodioxol-5-ylmethyl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCc2ccc3c(c2)OCO3)CCCCC1
InChIInChI=1S/C15H20N2O3/c16-15(6-2-1-3-7-15)14(18)17-9-11-4-5-12-13(8-11)20-10-19-12/h4-5,8H,1-3,6-7,9-10,16H2,(H,17,18)
InChIKeyOBDQYXCVGFNNBG-UHFFFAOYSA-N
XLogP1.69
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-(1,3-benzodioxol-5-ylmethyl)urea
CID 62905779
1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea
CID 71860491
1-N'-(1,3-benzodioxol-5-ylmethyl)-1-N-benzylcyclopropane-1,1-dicarboxamide
CID 108974741
N'-(1,3-benzodioxol-5-ylmethyl)oxamide
CID 3122126
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide
CID 166194047
1-N'-(1,3-benzodioxol-5-ylmethyl)-1-N-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975780
1-N'-(1,3-benzodioxol-5-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975205
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 103796386
2-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclohexene-1-carboxylic acid
CID 2812905
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2125664
1-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119303810
1-amino-N-(1,3-benzodioxol-4-ylmethyl)cyclopentane-1-carboxamide
CID 61212288

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1,3-benzodioxol-5-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(1,3-benzodioxol-5-ylmethyl)cyclohexane-1-carboxamide (CID 39058403) is 1-amino-N-(1,3-benzodioxol-5-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(1,3-benzodioxol-5-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(1,3-benzodioxol-5-ylmethyl)cyclohexane-1-carboxamide is NC1(C(=O)NCc2ccc3c(c2)OCO3)CCCCC1.
What is the InChIKey of 1-amino-N-(1,3-benzodioxol-5-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is OBDQYXCVGFNNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-15(6-2-1-3-7-15)14(18)17-9-11-4-5-12-13(8-11)20-10-19-12/h4-5,8H,1-3,6-7,9-10,16H2,(H,17,18).
What are the key properties of 1-amino-N-(1,3-benzodioxol-5-ylmethyl)cyclohexane-1-carboxamide?
1-amino-N-(1,3-benzodioxol-5-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1,3-benzodioxol-5-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 39058403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).