2-(1-aminocyclohexyl)-N-(1,3-benzodioxol-4-ylmethyl)acetamide

C16H22N2O3 — CID 64678994

IUPAC2-(1-aminocyclohexyl)-N-(1,3-benzodioxol-4-ylmethyl)acetamide
SMILESNC1(CC(=O)NCc2cccc3c2OCO3)CCCCC1
InChIInChI=1S/C16H22N2O3/c17-16(7-2-1-3-8-16)9-14(19)18-10-12-5-4-6-13-15(12)21-11-20-13/h4-6H,1-3,7-11,17H2,(H,18,19)
InChIKeyHUGYIBBFVVMQIU-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.08
Rot. Bonds4

About 2-(1-aminocyclohexyl)-N-(1,3-benzodioxol-4-ylmethyl)acetamide

2-(1-aminocyclohexyl)-N-(1,3-benzodioxol-4-ylmethyl)acetamide (PubChem CID 64678994) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-(1,3-benzodioxol-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-(1,3-benzodioxol-4-ylmethyl)acetamide
PubChem CID64678994
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(1-aminocyclohexyl)-N-(1,3-benzodioxol-4-ylmethyl)acetamide
SMILESNC1(CC(=O)NCc2cccc3c2OCO3)CCCCC1
InChIInChI=1S/C16H22N2O3/c17-16(7-2-1-3-8-16)9-14(19)18-10-12-5-4-6-13-15(12)21-11-20-13/h4-6H,1-3,7-11,17H2,(H,18,19)
InChIKeyHUGYIBBFVVMQIU-UHFFFAOYSA-N
XLogP2.08
TPSA73.58 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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(1,3-benzodioxol-4-ylmethyl)cyclopentane-1-carboxamide
CID 61212288
2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride
CID 119298911
4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxane-4-carboxamide
CID 115294563
N-(1,3-benzodioxol-4-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 61211918
N-(1,3-benzodioxol-4-ylmethyl)-4-hydroxybutanamide
CID 79192354
N-(1,3-benzodioxol-4-ylmethyl)-5-hydroxypentanamide
CID 79209486
6-(1,3-benzodioxol-4-ylmethylamino)-6-oxohexanoic acid
CID 61211522
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)propanamide
CID 61211159
2-[2-(1,3-benzodioxol-4-ylmethylamino)-2-oxoethoxy]acetic acid
CID 61327324
N-(1,3-benzodioxol-4-ylmethyl)-5-chloropentanamide
CID 61210400
N-(1,3-benzodioxol-4-ylmethyl)-2,2-dimethylpropanamide
CID 61149994
N-(1,3-benzodioxol-4-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605263

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-(1,3-benzodioxol-4-ylmethyl)acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-(1,3-benzodioxol-4-ylmethyl)acetamide (CID 64678994) is 2-(1-aminocyclohexyl)-N-(1,3-benzodioxol-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-(1,3-benzodioxol-4-ylmethyl)acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-(1,3-benzodioxol-4-ylmethyl)acetamide is NC1(CC(=O)NCc2cccc3c2OCO3)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-(1,3-benzodioxol-4-ylmethyl)acetamide?
The InChIKey is HUGYIBBFVVMQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-16(7-2-1-3-8-16)9-14(19)18-10-12-5-4-6-13-15(12)21-11-20-13/h4-6H,1-3,7-11,17H2,(H,18,19).
What are the key properties of 2-(1-aminocyclohexyl)-N-(1,3-benzodioxol-4-ylmethyl)acetamide?
2-(1-aminocyclohexyl)-N-(1,3-benzodioxol-4-ylmethyl)acetamide has a molecular weight of 290.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-(1,3-benzodioxol-4-ylmethyl)acetamide is sourced from PubChem (CID 64678994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).