2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)acetamide;hydrochloride

C17H25ClN2O3 — CID 119318289

IUPAC2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)acetamide;hydrochloride
SMILESCC1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)CN)CC1.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-12-2-5-14(6-3-12)19(17(20)9-18)10-13-4-7-15-16(8-13)22-11-21-15;/h4,7-8,12,14H,2-3,5-6,9-11,18H2,1H3;1H
InChIKeyONMPTHAPAYHJBA-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.70
Rot. Bonds4

About 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)acetamide;hydrochloride

2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)acetamide;hydrochloride (PubChem CID 119318289) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)acetamide;hydrochloride
PubChem CID119318289
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)acetamide;hydrochloride
SMILESCC1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)CN)CC1.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-12-2-5-14(6-3-12)19(17(20)9-18)10-13-4-7-15-16(8-13)22-11-21-15;/h4,7-8,12,14H,2-3,5-6,9-11,18H2,1H3;1H
InChIKeyONMPTHAPAYHJBA-UHFFFAOYSA-N
XLogP2.70
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)acetamide;hydrochloride (CID 119318289) is 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)acetamide;hydrochloride is CC1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)CN)CC1.Cl.
What is the InChIKey of 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)acetamide;hydrochloride?
The InChIKey is ONMPTHAPAYHJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3.ClH/c1-12-2-5-14(6-3-12)19(17(20)9-18)10-13-4-7-15-16(8-13)22-11-21-15;/h4,7-8,12,14H,2-3,5-6,9-11,18H2,1H3;1H.
What are the key properties of 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)acetamide;hydrochloride?
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)acetamide;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)acetamide;hydrochloride is sourced from PubChem (CID 119318289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).