N-(4-cyclohexyloxyphenyl)-2-(diethylamino)acetamide;hydrochloride

C18H29ClN2O2 — CID 3026194

IUPACN-(4-cyclohexyloxyphenyl)-2-(diethylamino)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)Nc1ccc(OC2CCCCC2)cc1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-3-20(4-2)14-18(21)19-15-10-12-17(13-11-15)22-16-8-6-5-7-9-16;/h10-13,16H,3-9,14H2,1-2H3,(H,19,21);1H
InChIKeyVHWOKNSGSGNDGP-UHFFFAOYSA-N
MW340.90 g/mol
LogP4.10
Rot. Bonds7

About N-(4-cyclohexyloxyphenyl)-2-(diethylamino)acetamide;hydrochloride

N-(4-cyclohexyloxyphenyl)-2-(diethylamino)acetamide;hydrochloride (PubChem CID 3026194) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is N-(4-cyclohexyloxyphenyl)-2-(diethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-cyclohexyloxyphenyl)-2-(diethylamino)acetamide;hydrochloride
PubChem CID3026194
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC NameN-(4-cyclohexyloxyphenyl)-2-(diethylamino)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)Nc1ccc(OC2CCCCC2)cc1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-3-20(4-2)14-18(21)19-15-10-12-17(13-11-15)22-16-8-6-5-7-9-16;/h10-13,16H,3-9,14H2,1-2H3,(H,19,21);1H
InChIKeyVHWOKNSGSGNDGP-UHFFFAOYSA-N
XLogP4.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexyloxyphenyl)-2-(diethylamino)acetamide;hydrochloride?
The IUPAC name of N-(4-cyclohexyloxyphenyl)-2-(diethylamino)acetamide;hydrochloride (CID 3026194) is N-(4-cyclohexyloxyphenyl)-2-(diethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(4-cyclohexyloxyphenyl)-2-(diethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(4-cyclohexyloxyphenyl)-2-(diethylamino)acetamide;hydrochloride is CCN(CC)CC(=O)Nc1ccc(OC2CCCCC2)cc1.Cl.
What is the InChIKey of N-(4-cyclohexyloxyphenyl)-2-(diethylamino)acetamide;hydrochloride?
The InChIKey is VHWOKNSGSGNDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-3-20(4-2)14-18(21)19-15-10-12-17(13-11-15)22-16-8-6-5-7-9-16;/h10-13,16H,3-9,14H2,1-2H3,(H,19,21);1H.
What are the key properties of N-(4-cyclohexyloxyphenyl)-2-(diethylamino)acetamide;hydrochloride?
N-(4-cyclohexyloxyphenyl)-2-(diethylamino)acetamide;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexyloxyphenyl)-2-(diethylamino)acetamide;hydrochloride is sourced from PubChem (CID 3026194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).