3-(2-aminophenyl)-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide;hydrochloride

C18H29ClN2O — CID 120610537

IUPAC3-(2-aminophenyl)-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide;hydrochloride
SMILESCCC(C)C(C)N(C(=O)CCc1ccccc1N)C1CC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-4-13(2)14(3)20(16-10-11-16)18(21)12-9-15-7-5-6-8-17(15)19;/h5-8,13-14,16H,4,9-12,19H2,1-3H3;1H
InChIKeyYGBVMKMKPMCFRG-UHFFFAOYSA-N
MW324.90 g/mol
LogP4.05
Rot. Bonds7

About 3-(2-aminophenyl)-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide;hydrochloride

3-(2-aminophenyl)-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide;hydrochloride (PubChem CID 120610537) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide;hydrochloride
PubChem CID120610537
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name3-(2-aminophenyl)-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide;hydrochloride
SMILESCCC(C)C(C)N(C(=O)CCc1ccccc1N)C1CC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-4-13(2)14(3)20(16-10-11-16)18(21)12-9-15-7-5-6-8-17(15)19;/h5-8,13-14,16H,4,9-12,19H2,1-3H3;1H
InChIKeyYGBVMKMKPMCFRG-UHFFFAOYSA-N
XLogP4.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide
CID 119319725
3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide
CID 120608816
3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120608242
3-(2-aminophenyl)-N-cyclopentyl-N-ethylpropanamide
CID 43541570
3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride
CID 120608410
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylpropanamide
CID 55000467
7-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)heptanamide
CID 119776954
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-ethylpropanamide
CID 63957099
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide
CID 54883935
3-(2-aminophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide;hydrochloride
CID 120608067
2-[2-[[cyclopropyl-[(2S,3S)-3-methylpentan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide
CID 95635900
3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide
CID 43309262

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide;hydrochloride (CID 120610537) is 3-(2-aminophenyl)-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide;hydrochloride is CCC(C)C(C)N(C(=O)CCc1ccccc1N)C1CC1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide;hydrochloride?
The InChIKey is YGBVMKMKPMCFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-4-13(2)14(3)20(16-10-11-16)18(21)12-9-15-7-5-6-8-17(15)19;/h5-8,13-14,16H,4,9-12,19H2,1-3H3;1H.
What are the key properties of 3-(2-aminophenyl)-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide;hydrochloride?
3-(2-aminophenyl)-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 120610537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).