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

C18H26N2O — CID 62499999

IUPAC2-(3-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)Cc1cccc(N)c1)C2
InChIInChI=1S/C18H26N2O/c1-17(2)13-7-8-18(17,3)15(11-13)20-16(21)10-12-5-4-6-14(19)9-12/h4-6,9,13,15H,7-8,10-11,19H2,1-3H3,(H,20,21)
InChIKeyKJGBQCLJZARNIQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.14
Rot. Bonds3

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

2-(3-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 62499999) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID62499999
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-(3-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)Cc1cccc(N)c1)C2
InChIInChI=1S/C18H26N2O/c1-17(2)13-7-8-18(17,3)15(11-13)20-16(21)10-12-5-4-6-14(19)9-12/h4-6,9,13,15H,7-8,10-11,19H2,1-3H3,(H,20,21)
InChIKeyKJGBQCLJZARNIQ-UHFFFAOYSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.14
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-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide;hydrochloride
CID 120607988
2-amino-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride
CID 119264698
2-phenoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 2921422
2-bromo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 102074730
4-oxo-4-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butanoic acid
CID 906419
2-(3-aminophenyl)-N-(1-methylcyclopentyl)acetamide
CID 55083856
2-(3-aminophenyl)-N-cycloheptylacetamide
CID 28712073
2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 55523380
2,2-diphenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 4635743
2-(3-aminophenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
CID 28689697
ethyl 4-oxo-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butanoate
CID 60660753

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (CID 62499999) is 2-(3-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is CC1(C)C2CCC1(C)C(NC(=O)Cc1cccc(N)c1)C2.
What is the InChIKey of 2-(3-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is KJGBQCLJZARNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-17(2)13-7-8-18(17,3)15(11-13)20-16(21)10-12-5-4-6-14(19)9-12/h4-6,9,13,15H,7-8,10-11,19H2,1-3H3,(H,20,21).
What are the key properties of 2-(3-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
2-(3-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 286.42 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 62499999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).