4-amino-N-(3-amino-3-oxopropyl)-N-phenylbutanamide;hydrochloride

C13H20ClN3O2 — CID 119275169

IUPAC4-amino-N-(3-amino-3-oxopropyl)-N-phenylbutanamide;hydrochloride
SMILESCl.NCCCC(=O)N(CCC(N)=O)c1ccccc1
InChIInChI=1S/C13H19N3O2.ClH/c14-9-4-7-13(18)16(10-8-12(15)17)11-5-2-1-3-6-11;/h1-3,5-6H,4,7-10,14H2,(H2,15,17);1H
InChIKeyAGCDYHWEIXZHNK-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.06
Rot. Bonds7

About 4-amino-N-(3-amino-3-oxopropyl)-N-phenylbutanamide;hydrochloride

4-amino-N-(3-amino-3-oxopropyl)-N-phenylbutanamide;hydrochloride (PubChem CID 119275169) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 4-amino-N-(3-amino-3-oxopropyl)-N-phenylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(3-amino-3-oxopropyl)-N-phenylbutanamide;hydrochloride
PubChem CID119275169
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name4-amino-N-(3-amino-3-oxopropyl)-N-phenylbutanamide;hydrochloride
SMILESCl.NCCCC(=O)N(CCC(N)=O)c1ccccc1
InChIInChI=1S/C13H19N3O2.ClH/c14-9-4-7-13(18)16(10-8-12(15)17)11-5-2-1-3-6-11;/h1-3,5-6H,4,7-10,14H2,(H2,15,17);1H
InChIKeyAGCDYHWEIXZHNK-UHFFFAOYSA-N
XLogP1.06
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-amino-3-oxopropyl)-N-phenylbutanamide;hydrochloride?
The IUPAC name of 4-amino-N-(3-amino-3-oxopropyl)-N-phenylbutanamide;hydrochloride (CID 119275169) is 4-amino-N-(3-amino-3-oxopropyl)-N-phenylbutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(3-amino-3-oxopropyl)-N-phenylbutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(3-amino-3-oxopropyl)-N-phenylbutanamide;hydrochloride is Cl.NCCCC(=O)N(CCC(N)=O)c1ccccc1.
What is the InChIKey of 4-amino-N-(3-amino-3-oxopropyl)-N-phenylbutanamide;hydrochloride?
The InChIKey is AGCDYHWEIXZHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c14-9-4-7-13(18)16(10-8-12(15)17)11-5-2-1-3-6-11;/h1-3,5-6H,4,7-10,14H2,(H2,15,17);1H.
What are the key properties of 4-amino-N-(3-amino-3-oxopropyl)-N-phenylbutanamide;hydrochloride?
4-amino-N-(3-amino-3-oxopropyl)-N-phenylbutanamide;hydrochloride has a molecular weight of 285.77 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-amino-3-oxopropyl)-N-phenylbutanamide;hydrochloride is sourced from PubChem (CID 119275169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).