3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chlorophenyl)propanamide

C15H22ClN3O — CID 116652756

IUPAC3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chlorophenyl)propanamide
SMILESCN(CCC(=O)Nc1ccccc1Cl)C(CN)C1CC1
InChIInChI=1S/C15H22ClN3O/c1-19(14(10-17)11-6-7-11)9-8-15(20)18-13-5-3-2-4-12(13)16/h2-5,11,14H,6-10,17H2,1H3,(H,18,20)
InChIKeyVTRKGERAUJIGAB-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.34
Rot. Bonds7

About 3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chlorophenyl)propanamide

3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chlorophenyl)propanamide (PubChem CID 116652756) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chlorophenyl)propanamide
PubChem CID116652756
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chlorophenyl)propanamide
SMILESCN(CCC(=O)Nc1ccccc1Cl)C(CN)C1CC1
InChIInChI=1S/C15H22ClN3O/c1-19(14(10-17)11-6-7-11)9-8-15(20)18-13-5-3-2-4-12(13)16/h2-5,11,14H,6-10,17H2,1H3,(H,18,20)
InChIKeyVTRKGERAUJIGAB-UHFFFAOYSA-N
XLogP2.34
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-aminocyclohexyl)-methylamino]-N-(2-chlorophenyl)propanamide
CID 79112697
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4-fluorophenyl)acetamide
CID 116652730
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide
CID 66186658
3-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chlorophenyl)propanamide;hydrochloride
CID 119928884
N-(2-chlorophenyl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 51300755
methyl 3-[[3-(2-chloroanilino)-3-oxopropyl]-methylamino]propanoate
CID 62012452
N-[(2-chlorophenyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61417418
N-(2-chlorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide
CID 63644278
3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113122534
N-(2-chlorophenyl)-3-[methyl(piperidin-2-ylmethyl)amino]propanamide
CID 106635404
N-(2-chlorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide
CID 62021726

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chlorophenyl)propanamide?
The IUPAC name of 3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chlorophenyl)propanamide (CID 116652756) is 3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chlorophenyl)propanamide is CN(CCC(=O)Nc1ccccc1Cl)C(CN)C1CC1.
What is the InChIKey of 3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chlorophenyl)propanamide?
The InChIKey is VTRKGERAUJIGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-19(14(10-17)11-6-7-11)9-8-15(20)18-13-5-3-2-4-12(13)16/h2-5,11,14H,6-10,17H2,1H3,(H,18,20).
What are the key properties of 3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chlorophenyl)propanamide?
3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chlorophenyl)propanamide has a molecular weight of 295.81 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 116652756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).