3-amino-N-[2-(3-chlorophenoxy)propyl]propanamide;hydrochloride

C12H18Cl2N2O2 — CID 119336975

IUPAC3-amino-N-[2-(3-chlorophenoxy)propyl]propanamide;hydrochloride
SMILESCC(CNC(=O)CCN)Oc1cccc(Cl)c1.Cl
InChIInChI=1S/C12H17ClN2O2.ClH/c1-9(8-15-12(16)5-6-14)17-11-4-2-3-10(13)7-11;/h2-4,7,9H,5-6,8,14H2,1H3,(H,15,16);1H
InChIKeyVPYLXQZTYBLTPS-UHFFFAOYSA-N
MW293.19 g/mol
LogP1.99
Rot. Bonds6

About 3-amino-N-[2-(3-chlorophenoxy)propyl]propanamide;hydrochloride

3-amino-N-[2-(3-chlorophenoxy)propyl]propanamide;hydrochloride (PubChem CID 119336975) has the molecular formula C12H18Cl2N2O2 and a molecular weight of 293.19 g/mol. Its IUPAC name is 3-amino-N-[2-(3-chlorophenoxy)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(3-chlorophenoxy)propyl]propanamide;hydrochloride
PubChem CID119336975
Molecular FormulaC12H18Cl2N2O2
Molecular Weight293.19 g/mol
Exact Mass292.07
IUPAC Name3-amino-N-[2-(3-chlorophenoxy)propyl]propanamide;hydrochloride
SMILESCC(CNC(=O)CCN)Oc1cccc(Cl)c1.Cl
InChIInChI=1S/C12H17ClN2O2.ClH/c1-9(8-15-12(16)5-6-14)17-11-4-2-3-10(13)7-11;/h2-4,7,9H,5-6,8,14H2,1H3,(H,15,16);1H
InChIKeyVPYLXQZTYBLTPS-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

2-amino-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119335581
N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119807127
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119807149
4-amino-N-(2-phenoxypropyl)butanamide;hydrochloride
CID 119295533
N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119807128
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3,3-dimethylbutanamide
CID 119807122
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119336981
4-[2-(3-chlorophenoxy)propylcarbamoylamino]butanoic acid
CID 122004038
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119336983
N-[2-(3-chlorophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119807141
2-(2-aminoethyl)-N-[2-(3-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120636617
3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119335768

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-chlorophenoxy)propyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(3-chlorophenoxy)propyl]propanamide;hydrochloride (CID 119336975) is 3-amino-N-[2-(3-chlorophenoxy)propyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(3-chlorophenoxy)propyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(3-chlorophenoxy)propyl]propanamide;hydrochloride is CC(CNC(=O)CCN)Oc1cccc(Cl)c1.Cl.
What is the InChIKey of 3-amino-N-[2-(3-chlorophenoxy)propyl]propanamide;hydrochloride?
The InChIKey is VPYLXQZTYBLTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2.ClH/c1-9(8-15-12(16)5-6-14)17-11-4-2-3-10(13)7-11;/h2-4,7,9H,5-6,8,14H2,1H3,(H,15,16);1H.
What are the key properties of 3-amino-N-[2-(3-chlorophenoxy)propyl]propanamide;hydrochloride?
3-amino-N-[2-(3-chlorophenoxy)propyl]propanamide;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 3-amino-N-[2-(3-chlorophenoxy)propyl]propanamide;hydrochloride is sourced from PubChem (CID 119336975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).