3-(2-aminophenyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide

C17H26N2O2 — CID 120611761

IUPAC3-(2-aminophenyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide
SMILESCOC1(C)CC(NC(=O)CCc2ccccc2N)C1(C)C
InChIInChI=1S/C17H26N2O2/c1-16(2)14(11-17(16,3)21-4)19-15(20)10-9-12-7-5-6-8-13(12)18/h5-8,14H,9-11,18H2,1-4H3,(H,19,20)
InChIKeyOCSPSGOGXPRNKQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.52
Rot. Bonds5

About 3-(2-aminophenyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide

3-(2-aminophenyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide (PubChem CID 120611761) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide
PubChem CID120611761
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(2-aminophenyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide
SMILESCOC1(C)CC(NC(=O)CCc2ccccc2N)C1(C)C
InChIInChI=1S/C17H26N2O2/c1-16(2)14(11-17(16,3)21-4)19-15(20)10-9-12-7-5-6-8-13(12)18/h5-8,14H,9-11,18H2,1-4H3,(H,19,20)
InChIKeyOCSPSGOGXPRNKQ-UHFFFAOYSA-N
XLogP2.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide (CID 120611761) is 3-(2-aminophenyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide is COC1(C)CC(NC(=O)CCc2ccccc2N)C1(C)C.
What is the InChIKey of 3-(2-aminophenyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide?
The InChIKey is OCSPSGOGXPRNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-16(2)14(11-17(16,3)21-4)19-15(20)10-9-12-7-5-6-8-13(12)18/h5-8,14H,9-11,18H2,1-4H3,(H,19,20).
What are the key properties of 3-(2-aminophenyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide?
3-(2-aminophenyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide is sourced from PubChem (CID 120611761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).