6-amino-N-(1-cyclohexylethyl)-1,3-benzodioxole-5-carboxamide

C16H22N2O3 — CID 103543073

IUPAC6-amino-N-(1-cyclohexylethyl)-1,3-benzodioxole-5-carboxamide
SMILESCC(NC(=O)c1cc2c(cc1N)OCO2)C1CCCCC1
InChIInChI=1S/C16H22N2O3/c1-10(11-5-3-2-4-6-11)18-16(19)12-7-14-15(8-13(12)17)21-9-20-14/h7-8,10-11H,2-6,9,17H2,1H3,(H,18,19)
InChIKeyXYWTXNNDNXALED-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.70
Rot. Bonds3

About 6-amino-N-(1-cyclohexylethyl)-1,3-benzodioxole-5-carboxamide

6-amino-N-(1-cyclohexylethyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 103543073) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 6-amino-N-(1-cyclohexylethyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name6-amino-N-(1-cyclohexylethyl)-1,3-benzodioxole-5-carboxamide
PubChem CID103543073
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name6-amino-N-(1-cyclohexylethyl)-1,3-benzodioxole-5-carboxamide
SMILESCC(NC(=O)c1cc2c(cc1N)OCO2)C1CCCCC1
InChIInChI=1S/C16H22N2O3/c1-10(11-5-3-2-4-6-11)18-16(19)12-7-14-15(8-13(12)17)21-9-20-14/h7-8,10-11H,2-6,9,17H2,1H3,(H,18,19)
InChIKeyXYWTXNNDNXALED-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(1S)-1-cyclopentylethyl]-5-fluorobenzamide
CID 81388369
6-amino-N-(3,3-dimethylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 103543392
6-amino-N-(4-methoxybutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 103543193
2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388670
6-amino-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 103543416
2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide
CID 115413669
4-amino-N-[(1R)-1-cyclohexylethyl]-2-fluorobenzamide
CID 94431767
N-[(1R)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide
CID 51464805
6-amino-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzodioxole-5-carboxamide
CID 103543515
6-amino-N-(1-hydroxypentan-3-yl)-1,3-benzodioxole-5-carboxamide
CID 103543432
6-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide
CID 103543383
4-amino-N-[(1R)-1-cycloheptylethyl]-2-methoxybenzamide
CID 107207952

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1-cyclohexylethyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 6-amino-N-(1-cyclohexylethyl)-1,3-benzodioxole-5-carboxamide (CID 103543073) is 6-amino-N-(1-cyclohexylethyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 6-amino-N-(1-cyclohexylethyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 6-amino-N-(1-cyclohexylethyl)-1,3-benzodioxole-5-carboxamide is CC(NC(=O)c1cc2c(cc1N)OCO2)C1CCCCC1.
What is the InChIKey of 6-amino-N-(1-cyclohexylethyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is XYWTXNNDNXALED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10(11-5-3-2-4-6-11)18-16(19)12-7-14-15(8-13(12)17)21-9-20-14/h7-8,10-11H,2-6,9,17H2,1H3,(H,18,19).
What are the key properties of 6-amino-N-(1-cyclohexylethyl)-1,3-benzodioxole-5-carboxamide?
6-amino-N-(1-cyclohexylethyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1-cyclohexylethyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 103543073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).