4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride

C13H20ClN3O2 — CID 119733438

IUPAC4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride
SMILESCCCCN(CC(N)=O)C(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-2-3-8-16(9-12(15)17)13(18)10-4-6-11(14)7-5-10;/h4-7H,2-3,8-9,14H2,1H3,(H2,15,17);1H
InChIKeyCANNSQWWCWNZEG-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.42
Rot. Bonds6

About 4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride

4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride (PubChem CID 119733438) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride
PubChem CID119733438
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride
SMILESCCCCN(CC(N)=O)C(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-2-3-8-16(9-12(15)17)13(18)10-4-6-11(14)7-5-10;/h4-7H,2-3,8-9,14H2,1H3,(H2,15,17);1H
InChIKeyCANNSQWWCWNZEG-UHFFFAOYSA-N
XLogP1.42
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-butyl-N-propylbenzamide
CID 127119640
3-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide
CID 54906297
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CID 5077826
3-amino-N-(2-amino-2-oxoethyl)-N-butyl-4-methylbenzamide
CID 60946441
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54906063
N-(2-amino-2-oxoethyl)-N-butyl-3-chloro-4-iodobenzamide
CID 103735007
N-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide
CID 60766751
5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide
CID 63116764
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide
CID 54942284
4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide
CID 43373883
4-amino-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60946109
N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]hexanamide
CID 43461046

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride (CID 119733438) is 4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride is CCCCN(CC(N)=O)C(=O)c1ccc(N)cc1.Cl.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride?
The InChIKey is CANNSQWWCWNZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-2-3-8-16(9-12(15)17)13(18)10-4-6-11(14)7-5-10;/h4-7H,2-3,8-9,14H2,1H3,(H2,15,17);1H.
What are the key properties of 4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride?
4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride has a molecular weight of 285.77 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride is sourced from PubChem (CID 119733438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).