4-amino-N-(2-phenoxypropyl)butanamide;hydrochloride

C13H21ClN2O2 — CID 119295533

IUPAC4-amino-N-(2-phenoxypropyl)butanamide;hydrochloride
SMILESCC(CNC(=O)CCCN)Oc1ccccc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-11(10-15-13(16)8-5-9-14)17-12-6-3-2-4-7-12;/h2-4,6-7,11H,5,8-10,14H2,1H3,(H,15,16);1H
InChIKeyTXPFSZSFQYRARG-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.73
Rot. Bonds7

About 4-amino-N-(2-phenoxypropyl)butanamide;hydrochloride

4-amino-N-(2-phenoxypropyl)butanamide;hydrochloride (PubChem CID 119295533) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-amino-N-(2-phenoxypropyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2-phenoxypropyl)butanamide;hydrochloride
PubChem CID119295533
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name4-amino-N-(2-phenoxypropyl)butanamide;hydrochloride
SMILESCC(CNC(=O)CCCN)Oc1ccccc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-11(10-15-13(16)8-5-9-14)17-12-6-3-2-4-7-12;/h2-4,6-7,11H,5,8-10,14H2,1H3,(H,15,16);1H
InChIKeyTXPFSZSFQYRARG-UHFFFAOYSA-N
XLogP1.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(3-chlorophenoxy)propyl]propanamide;hydrochloride
CID 119336975
2-amino-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119335581
3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119335768
4-amino-N-(2-methoxypropyl)butanamide
CID 102694810
4-amino-N-(2-phenylsulfanylpropyl)butanamide
CID 119335487
2-amino-N-(2-phenoxypropyl)-2-phenylpropanamide
CID 120589356
2-methyl-3-(4-phenoxybutanoylamino)propanoic acid
CID 62676928
N-(2-aminopropyl)-4-phenoxybutanamide
CID 82354182
4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119293246
N-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide
CID 119804736
N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride
CID 120651118
N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
CID 83030039

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-phenoxypropyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(2-phenoxypropyl)butanamide;hydrochloride (CID 119295533) is 4-amino-N-(2-phenoxypropyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2-phenoxypropyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2-phenoxypropyl)butanamide;hydrochloride is CC(CNC(=O)CCCN)Oc1ccccc1.Cl.
What is the InChIKey of 4-amino-N-(2-phenoxypropyl)butanamide;hydrochloride?
The InChIKey is TXPFSZSFQYRARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-11(10-15-13(16)8-5-9-14)17-12-6-3-2-4-7-12;/h2-4,6-7,11H,5,8-10,14H2,1H3,(H,15,16);1H.
What are the key properties of 4-amino-N-(2-phenoxypropyl)butanamide;hydrochloride?
4-amino-N-(2-phenoxypropyl)butanamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-phenoxypropyl)butanamide;hydrochloride is sourced from PubChem (CID 119295533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).