N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride

C12H18Cl2N2O2 — CID 119497323

IUPACN-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride
SMILESCC(N)CCNC(=O)COc1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H17ClN2O2.ClH/c1-9(14)6-7-15-12(16)8-17-11-4-2-10(13)3-5-11;/h2-5,9H,6-8,14H2,1H3,(H,15,16);1H
InChIKeyMOVHETIPXXOOMC-UHFFFAOYSA-N
MW293.19 g/mol
LogP1.99
Rot. Bonds6

About N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride

N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride (PubChem CID 119497323) has the molecular formula C12H18Cl2N2O2 and a molecular weight of 293.19 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride
PubChem CID119497323
Molecular FormulaC12H18Cl2N2O2
Molecular Weight293.19 g/mol
Exact Mass292.07
IUPAC NameN-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride
SMILESCC(N)CCNC(=O)COc1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H17ClN2O2.ClH/c1-9(14)6-7-15-12(16)8-17-11-4-2-10(13)3-5-11;/h2-5,9H,6-8,14H2,1H3,(H,15,16);1H
InChIKeyMOVHETIPXXOOMC-UHFFFAOYSA-N
XLogP1.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride
CID 119496606
N-(3-aminobutyl)-2-(4-chloro-3-methylphenoxy)acetamide;hydrochloride
CID 119497344
N-(3-aminobutyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 119497991
N-(3-aminobutyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119497988
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593764
methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
CID 108573294
N-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide
CID 112501724
N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 119494768
N-(3-amino-4-methylpent-3-enyl)-2-(4-chlorophenoxy)acetamide
CID 137400318
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride (CID 119497323) is N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride is CC(N)CCNC(=O)COc1ccc(Cl)cc1.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride?
The InChIKey is MOVHETIPXXOOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2.ClH/c1-9(14)6-7-15-12(16)8-17-11-4-2-10(13)3-5-11;/h2-5,9H,6-8,14H2,1H3,(H,15,16);1H.
What are the key properties of N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride?
N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride has a molecular weight of 293.19 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119497323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).