N-(4-aminocyclohexyl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride

C16H24ClN3O3 — CID 119477453

IUPACN-(4-aminocyclohexyl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)CNC(=O)COc2ccccc2)CC1
InChIInChI=1S/C16H23N3O3.ClH/c17-12-6-8-13(9-7-12)19-15(20)10-18-16(21)11-22-14-4-2-1-3-5-14;/h1-5,12-13H,6-11,17H2,(H,18,21)(H,19,20);1H
InChIKeyILHIDFICHCEWPD-UHFFFAOYSA-N
MW341.84 g/mol
LogP0.99
Rot. Bonds6

About N-(4-aminocyclohexyl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride

N-(4-aminocyclohexyl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride (PubChem CID 119477453) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride
PubChem CID119477453
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC NameN-(4-aminocyclohexyl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)CNC(=O)COc2ccccc2)CC1
InChIInChI=1S/C16H23N3O3.ClH/c17-12-6-8-13(9-7-12)19-15(20)10-18-16(21)11-22-14-4-2-1-3-5-14;/h1-5,12-13H,6-11,17H2,(H,18,21)(H,19,20);1H
InChIKeyILHIDFICHCEWPD-UHFFFAOYSA-N
XLogP0.99
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-2-[(2-phenoxyacetyl)amino]acetamide
CID 24635122
N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119474993
N-(4-aminocyclohexyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119474987
N-(4-aminocyclohexyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride
CID 119474575
N-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119475585
N-cyclopropyl-2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetamide
CID 46446393
N-(1,4-dioxaspiro[4.5]decan-7-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 75453285
N-(1-cyclopropylethyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 47117041
N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride
CID 119476259
N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946
N-(4-oxocyclohexyl)-2-phenoxyacetamide
CID 43652791
3-cyclopropyl-2-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]propanoic acid
CID 120535828

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride (CID 119477453) is N-(4-aminocyclohexyl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride is Cl.NC1CCC(NC(=O)CNC(=O)COc2ccccc2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride?
The InChIKey is ILHIDFICHCEWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c17-12-6-8-13(9-7-12)19-15(20)10-18-16(21)11-22-14-4-2-1-3-5-14;/h1-5,12-13H,6-11,17H2,(H,18,21)(H,19,20);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride?
N-(4-aminocyclohexyl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride is sourced from PubChem (CID 119477453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).