3-(2-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide;hydrochloride

C19H29ClN2O — CID 120607988

IUPAC3-(2-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide;hydrochloride
SMILESCC1(C)C2CCC1(C)C(NC(=O)CCc1ccccc1N)C2.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-18(2)14-10-11-19(18,3)16(12-14)21-17(22)9-8-13-6-4-5-7-15(13)20;/h4-7,14,16H,8-12,20H2,1-3H3,(H,21,22);1H
InChIKeyAQIYGXNSNAFIME-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.95
Rot. Bonds4

About 3-(2-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide;hydrochloride

3-(2-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide;hydrochloride (PubChem CID 120607988) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide;hydrochloride
PubChem CID120607988
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name3-(2-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide;hydrochloride
SMILESCC1(C)C2CCC1(C)C(NC(=O)CCc1ccccc1N)C2.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-18(2)14-10-11-19(18,3)16(12-14)21-17(22)9-8-13-6-4-5-7-15(13)20;/h4-7,14,16H,8-12,20H2,1-3H3,(H,21,22);1H
InChIKeyAQIYGXNSNAFIME-UHFFFAOYSA-N
XLogP3.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)propanamide
CID 79872318
2-(3-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 62499999
2-amino-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride
CID 119264698
3-(2-aminophenyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide
CID 120611761
3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120610600
2,2-diphenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 4635743
2-(2-formylphenoxy)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 24525991
3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride
CID 120611579
3-(2-aminophenyl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)propanamide;hydrochloride
CID 120611037
3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride
CID 120609307
2-(2-acetamidophenoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 100845442
3-(2-aminophenyl)-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
CID 120611376

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide;hydrochloride (CID 120607988) is 3-(2-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide;hydrochloride is CC1(C)C2CCC1(C)C(NC(=O)CCc1ccccc1N)C2.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide;hydrochloride?
The InChIKey is AQIYGXNSNAFIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-18(2)14-10-11-19(18,3)16(12-14)21-17(22)9-8-13-6-4-5-7-15(13)20;/h4-7,14,16H,8-12,20H2,1-3H3,(H,21,22);1H.
What are the key properties of 3-(2-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide;hydrochloride?
3-(2-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide;hydrochloride is sourced from PubChem (CID 120607988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).