3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide;hydrochloride

C11H16ClN3O3 — CID 119281562

IUPAC3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C11H15N3O3.ClH/c12-6-5-11(16)14-8-1-3-9(4-2-8)17-7-10(13)15;/h1-4H,5-7,12H2,(H2,13,15)(H,14,16);1H
InChIKeyAGXVJCICNMDGTC-UHFFFAOYSA-N
MW273.72 g/mol
LogP0.26
Rot. Bonds6

About 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide;hydrochloride

3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide;hydrochloride (PubChem CID 119281562) has the molecular formula C11H16ClN3O3 and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide;hydrochloride
PubChem CID119281562
Molecular FormulaC11H16ClN3O3
Molecular Weight273.72 g/mol
Exact Mass273.09
IUPAC Name3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C11H15N3O3.ClH/c12-6-5-11(16)14-8-1-3-9(4-2-8)17-7-10(13)15;/h1-4H,5-7,12H2,(H2,13,15)(H,14,16);1H
InChIKeyAGXVJCICNMDGTC-UHFFFAOYSA-N
XLogP0.26
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
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3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
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N-[4-(2-amino-2-oxoethoxy)phenyl]-2-naphthalen-1-ylacetamide
CID 38381033
3-amino-N-(4-methylphenyl)propanamide;hydrochloride
CID 15558174
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,4-dimethylphenoxy)propanamide
CID 39860915
3-amino-N-(4-hydroxyphenyl)propanamide
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CID 22692055

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide;hydrochloride (CID 119281562) is 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide;hydrochloride is Cl.NCCC(=O)Nc1ccc(OCC(N)=O)cc1.
What is the InChIKey of 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide;hydrochloride?
The InChIKey is AGXVJCICNMDGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3.ClH/c12-6-5-11(16)14-8-1-3-9(4-2-8)17-7-10(13)15;/h1-4H,5-7,12H2,(H2,13,15)(H,14,16);1H.
What are the key properties of 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide;hydrochloride?
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide;hydrochloride has a molecular weight of 273.72 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119281562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).