4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride

C14H22ClN3O2 — CID 119311463

IUPAC4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride
SMILESCc1cccc(N(CCC(N)=O)C(=O)CCCN)c1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-11-4-2-5-12(10-11)17(9-7-13(16)18)14(19)6-3-8-15;/h2,4-5,10H,3,6-9,15H2,1H3,(H2,16,18);1H
InChIKeyPMFKYAQYYOORMI-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.36
Rot. Bonds7

About 4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride

4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride (PubChem CID 119311463) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride
PubChem CID119311463
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride
SMILESCc1cccc(N(CCC(N)=O)C(=O)CCCN)c1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-11-4-2-5-12(10-11)17(9-7-13(16)18)14(19)6-3-8-15;/h2,4-5,10H,3,6-9,15H2,1H3,(H2,16,18);1H
InChIKeyPMFKYAQYYOORMI-UHFFFAOYSA-N
XLogP1.36
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-amino-3-oxopropyl)-N-phenylbutanamide;hydrochloride
CID 119275169
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CID 120610142
7-amino-N-(3-amino-3-oxopropyl)-N-phenylheptanamide
CID 119696693
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide
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CID 119275160
N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119311457
N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119762815
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)propanamide
CID 28766915
2-(aminomethyl)-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119762813
3-(3-methyl-N-propanoylanilino)propanoic acid
CID 28764164
3-[N-(4-hydroxybutyl)-3-methylanilino]propanamide
CID 110935979

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride (CID 119311463) is 4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride is Cc1cccc(N(CCC(N)=O)C(=O)CCCN)c1.Cl.
What is the InChIKey of 4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride?
The InChIKey is PMFKYAQYYOORMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-11-4-2-5-12(10-11)17(9-7-13(16)18)14(19)6-3-8-15;/h2,4-5,10H,3,6-9,15H2,1H3,(H2,16,18);1H.
What are the key properties of 4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride?
4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.36, 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-(3-methylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119311463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).