N-(2-amino-1-cyclohexylethyl)-2-(4-benzylmorpholin-2-yl)acetamide;dihydrochloride

C21H35Cl2N3O2 — CID 119590174

IUPACN-(2-amino-1-cyclohexylethyl)-2-(4-benzylmorpholin-2-yl)acetamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)CC1CN(Cc2ccccc2)CCO1)C1CCCCC1
InChIInChI=1S/C21H33N3O2.2ClH/c22-14-20(18-9-5-2-6-10-18)23-21(25)13-19-16-24(11-12-26-19)15-17-7-3-1-4-8-17;;/h1,3-4,7-8,18-20H,2,5-6,9-16,22H2,(H,23,25);2*1H
InChIKeyPZSGRUIAJWXXSA-UHFFFAOYSA-N
MW432.44 g/mol
LogP3.14
Rot. Bonds7

About N-(2-amino-1-cyclohexylethyl)-2-(4-benzylmorpholin-2-yl)acetamide;dihydrochloride

N-(2-amino-1-cyclohexylethyl)-2-(4-benzylmorpholin-2-yl)acetamide;dihydrochloride (PubChem CID 119590174) has the molecular formula C21H35Cl2N3O2 and a molecular weight of 432.44 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-(4-benzylmorpholin-2-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-(4-benzylmorpholin-2-yl)acetamide;dihydrochloride
PubChem CID119590174
Molecular FormulaC21H35Cl2N3O2
Molecular Weight432.44 g/mol
Exact Mass431.21
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-(4-benzylmorpholin-2-yl)acetamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)CC1CN(Cc2ccccc2)CCO1)C1CCCCC1
InChIInChI=1S/C21H33N3O2.2ClH/c22-14-20(18-9-5-2-6-10-18)23-21(25)13-19-16-24(11-12-26-19)15-17-7-3-1-4-8-17;;/h1,3-4,7-8,18-20H,2,5-6,9-16,22H2,(H,23,25);2*1H
InChIKeyPZSGRUIAJWXXSA-UHFFFAOYSA-N
XLogP3.14
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylmorpholin-2-yl)-N-[2-(cycloheptylamino)ethyl]acetamide
CID 119620021
N-(2-aminoethyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119383303
N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119995447
(2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid
CID 124681649
2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide
CID 111539052
N-(1-aminopropan-2-yl)-2-(4-benzylmorpholin-2-yl)-N-methylacetamide
CID 119582704
4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid
CID 124703826
2-(4-benzylmorpholin-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 71991299
2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111540025
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride
CID 119900647
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(4-benzylmorpholin-2-yl)acetamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(4-benzylmorpholin-2-yl)acetamide;dihydrochloride (CID 119590174) is N-(2-amino-1-cyclohexylethyl)-2-(4-benzylmorpholin-2-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-(4-benzylmorpholin-2-yl)acetamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-(4-benzylmorpholin-2-yl)acetamide;dihydrochloride is Cl.Cl.NCC(NC(=O)CC1CN(Cc2ccccc2)CCO1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-(4-benzylmorpholin-2-yl)acetamide;dihydrochloride?
The InChIKey is PZSGRUIAJWXXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2.2ClH/c22-14-20(18-9-5-2-6-10-18)23-21(25)13-19-16-24(11-12-26-19)15-17-7-3-1-4-8-17;;/h1,3-4,7-8,18-20H,2,5-6,9-16,22H2,(H,23,25);2*1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-(4-benzylmorpholin-2-yl)acetamide;dihydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-(4-benzylmorpholin-2-yl)acetamide;dihydrochloride has a molecular weight of 432.44 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-(4-benzylmorpholin-2-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119590174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).