3-(2-aminophenyl)-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride

C22H27ClN2O — CID 120609184

IUPAC3-(2-aminophenyl)-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)N(C1CC1)C1CCCc2ccccc21
InChIInChI=1S/C22H26N2O.ClH/c23-20-10-4-2-7-17(20)12-15-22(25)24(18-13-14-18)21-11-5-8-16-6-1-3-9-19(16)21;/h1-4,6-7,9-10,18,21H,5,8,11-15,23H2;1H
InChIKeyXXDCWGYYLGDMKI-UHFFFAOYSA-N
MW370.92 g/mol
LogP4.69
Rot. Bonds5

About 3-(2-aminophenyl)-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride

3-(2-aminophenyl)-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride (PubChem CID 120609184) has the molecular formula C22H27ClN2O and a molecular weight of 370.92 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
PubChem CID120609184
Molecular FormulaC22H27ClN2O
Molecular Weight370.92 g/mol
Exact Mass370.18
IUPAC Name3-(2-aminophenyl)-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)N(C1CC1)C1CCCc2ccccc21
InChIInChI=1S/C22H26N2O.ClH/c23-20-10-4-2-7-17(20)12-15-22(25)24(18-13-14-18)21-11-5-8-16-6-1-3-9-19(16)21;/h1-4,6-7,9-10,18,21H,5,8,11-15,23H2;1H
InChIKeyXXDCWGYYLGDMKI-UHFFFAOYSA-N
XLogP4.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 54.69
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

7-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanamide;hydrochloride
CID 119728149
4-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride
CID 120560475
3-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)propanamide
CID 119299896
4-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride
CID 119728161
2-(4-aminophenyl)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride
CID 119742610
4-chloro-N-[3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzamide
CID 55592636
4-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-methoxybutanamide;hydrochloride
CID 120589829
3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120608242
N-cyclopropyl-3-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 119728180
N-cyclopropyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55592024
N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide
CID 119936952
N',N'-bis[(1R)-2,3-dihydro-1H-inden-1-yl]butanediamide
CID 67417202

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride (CID 120609184) is 3-(2-aminophenyl)-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride is Cl.Nc1ccccc1CCC(=O)N(C1CC1)C1CCCc2ccccc21.
What is the InChIKey of 3-(2-aminophenyl)-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride?
The InChIKey is XXDCWGYYLGDMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O.ClH/c23-20-10-4-2-7-17(20)12-15-22(25)24(18-13-14-18)21-11-5-8-16-6-1-3-9-19(16)21;/h1-4,6-7,9-10,18,21H,5,8,11-15,23H2;1H.
What are the key properties of 3-(2-aminophenyl)-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride?
3-(2-aminophenyl)-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride has a molecular weight of 370.92 g/mol, XLogP of 4.69, 5 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-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 120609184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).