3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-chlorophenyl)propanamide

C16H26ClN3O — CID 79664559

IUPAC3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-chlorophenyl)propanamide
SMILESCCN(CCC(=O)Nc1ccccc1Cl)CC(C)(C)CN
InChIInChI=1S/C16H26ClN3O/c1-4-20(12-16(2,3)11-18)10-9-15(21)19-14-8-6-5-7-13(14)17/h5-8H,4,9-12,18H2,1-3H3,(H,19,21)
InChIKeyLTSQJMQRSYNWGK-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.98
Rot. Bonds8

About 3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-chlorophenyl)propanamide

3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-chlorophenyl)propanamide (PubChem CID 79664559) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-chlorophenyl)propanamide
PubChem CID79664559
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-chlorophenyl)propanamide
SMILESCCN(CCC(=O)Nc1ccccc1Cl)CC(C)(C)CN
InChIInChI=1S/C16H26ClN3O/c1-4-20(12-16(2,3)11-18)10-9-15(21)19-14-8-6-5-7-13(14)17/h5-8H,4,9-12,18H2,1-3H3,(H,19,21)
InChIKeyLTSQJMQRSYNWGK-UHFFFAOYSA-N
XLogP2.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chlorophenyl)propanamide;hydrochloride
CID 119928884
N-(2-chlorophenyl)-3-[ethyl(2-methylprop-2-enyl)amino]propanamide;hydrochloride
CID 90483718
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2,5-dichlorophenyl)acetamide
CID 79664777
N-(2-chlorophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
CID 60774874
N-(2-chlorophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78962251
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113122534
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanophenyl)acetamide
CID 79664547
N-(2-chlorophenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide
CID 54992430
methyl 3-[[3-(2-chloroanilino)-3-oxopropyl]-methylamino]propanoate
CID 62012452
N-(2-chlorophenyl)hexanamide
CID 4644560
3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)propanamide
CID 3787915

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-chlorophenyl)propanamide?
The IUPAC name of 3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-chlorophenyl)propanamide (CID 79664559) is 3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-chlorophenyl)propanamide is CCN(CCC(=O)Nc1ccccc1Cl)CC(C)(C)CN.
What is the InChIKey of 3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-chlorophenyl)propanamide?
The InChIKey is LTSQJMQRSYNWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-4-20(12-16(2,3)11-18)10-9-15(21)19-14-8-6-5-7-13(14)17/h5-8H,4,9-12,18H2,1-3H3,(H,19,21).
What are the key properties of 3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-chlorophenyl)propanamide?
3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-chlorophenyl)propanamide has a molecular weight of 311.86 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 79664559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).