3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride

C13H20ClN3O3 — CID 119733597

IUPAC3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1ccc(OCCC(N)=O)cc1.Cl
InChIInChI=1S/C13H19N3O3.ClH/c1-9(14)8-13(18)16-10-2-4-11(5-3-10)19-7-6-12(15)17;/h2-5,9H,6-8,14H2,1H3,(H2,15,17)(H,16,18);1H
InChIKeyCFPBNWVCZAWMDL-UHFFFAOYSA-N
MW301.77 g/mol
LogP1.04
Rot. Bonds7

About 3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride

3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride (PubChem CID 119733597) has the molecular formula C13H20ClN3O3 and a molecular weight of 301.77 g/mol. Its IUPAC name is 3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride
PubChem CID119733597
Molecular FormulaC13H20ClN3O3
Molecular Weight301.77 g/mol
Exact Mass301.12
IUPAC Name3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1ccc(OCCC(N)=O)cc1.Cl
InChIInChI=1S/C13H19N3O3.ClH/c1-9(14)8-13(18)16-10-2-4-11(5-3-10)19-7-6-12(15)17;/h2-5,9H,6-8,14H2,1H3,(H2,15,17)(H,16,18);1H
InChIKeyCFPBNWVCZAWMDL-UHFFFAOYSA-N
XLogP1.04
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride
CID 119294951
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
CID 43700453
N-[4-(3-amino-3-oxopropoxy)phenyl]-3-methyl-5-phenylpentanamide
CID 86866265
3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide
CID 119680037
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014328
3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119701459
3-amino-N-[4-(cyanomethoxy)phenyl]butanamide
CID 61248145
3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 60837802
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-bromo-3-methylbutanamide
CID 43696967
2-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethoxy]acetic acid
CID 61329797
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55727969
3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride (CID 119733597) is 3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride is CC(N)CC(=O)Nc1ccc(OCCC(N)=O)cc1.Cl.
What is the InChIKey of 3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride?
The InChIKey is CFPBNWVCZAWMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3.ClH/c1-9(14)8-13(18)16-10-2-4-11(5-3-10)19-7-6-12(15)17;/h2-5,9H,6-8,14H2,1H3,(H2,15,17)(H,16,18);1H.
What are the key properties of 3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride?
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride has a molecular weight of 301.77 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119733597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).