N-(1,3-benzodioxol-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide

C16H22N2O3 — CID 65240483

IUPACN-(1,3-benzodioxol-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)Nc2ccc3c(c2)OCO3)CCCCC1
InChIInChI=1S/C16H22N2O3/c1-17-16(7-3-2-4-8-16)10-15(19)18-12-5-6-13-14(9-12)21-11-20-13/h5-6,9,17H,2-4,7-8,10-11H2,1H3,(H,18,19)
InChIKeyMOHSTABZFWWSDC-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.67
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide (PubChem CID 65240483) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide
PubChem CID65240483
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)Nc2ccc3c(c2)OCO3)CCCCC1
InChIInChI=1S/C16H22N2O3/c1-17-16(7-3-2-4-8-16)10-15(19)18-12-5-6-13-14(9-12)21-11-20-13/h5-6,9,17H,2-4,7-8,10-11H2,1H3,(H,18,19)
InChIKeyMOHSTABZFWWSDC-UHFFFAOYSA-N
XLogP2.67
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240820
N-(3-chloro-4-methylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240524
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
N-(4-chloro-3-fluorophenyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242628
N-(1,3-benzodioxol-5-yl)-1-cyanocyclohexane-1-carboxamide
CID 61459502
N-(1,3-benzodioxol-5-yl)-3,3-dimethylbutanamide
CID 803627
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974
N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide
CID 1072428
2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]cyclohexyl]acetate
CID 7440488
2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113166420
N-(1-benzothiophen-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242293
1-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopentan-1-amine
CID 82129060

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide (CID 65240483) is N-(1,3-benzodioxol-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide is CNC1(CC(=O)Nc2ccc3c(c2)OCO3)CCCCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide?
The InChIKey is MOHSTABZFWWSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-17-16(7-3-2-4-8-16)10-15(19)18-12-5-6-13-14(9-12)21-11-20-13/h5-6,9,17H,2-4,7-8,10-11H2,1H3,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide has a molecular weight of 290.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide is sourced from PubChem (CID 65240483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).