4-(2-bicyclo[2.2.1]heptanylamino)butanamide

C11H20N2O — CID 61309555

IUPAC4-(2-bicyclo[2.2.1]heptanylamino)butanamide
SMILESNC(=O)CCCNC1CC2CCC1C2
InChIInChI=1S/C11H20N2O/c12-11(14)2-1-5-13-10-7-8-3-4-9(10)6-8/h8-10,13H,1-7H2,(H2,12,14)
InChIKeyNFEVKHNFMCJFDN-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.03
Rot. Bonds5

About 4-(2-bicyclo[2.2.1]heptanylamino)butanamide

4-(2-bicyclo[2.2.1]heptanylamino)butanamide (PubChem CID 61309555) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanylamino)butanamide.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanylamino)butanamide
PubChem CID61309555
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-(2-bicyclo[2.2.1]heptanylamino)butanamide
SMILESNC(=O)CCCNC1CC2CCC1C2
InChIInChI=1S/C11H20N2O/c12-11(14)2-1-5-13-10-7-8-3-4-9(10)6-8/h8-10,13H,1-7H2,(H2,12,14)
InChIKeyNFEVKHNFMCJFDN-UHFFFAOYSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanylamino)butanamide?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanylamino)butanamide (CID 61309555) is 4-(2-bicyclo[2.2.1]heptanylamino)butanamide.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanylamino)butanamide?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanylamino)butanamide is NC(=O)CCCNC1CC2CCC1C2.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanylamino)butanamide?
The InChIKey is NFEVKHNFMCJFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c12-11(14)2-1-5-13-10-7-8-3-4-9(10)6-8/h8-10,13H,1-7H2,(H2,12,14).
What are the key properties of 4-(2-bicyclo[2.2.1]heptanylamino)butanamide?
4-(2-bicyclo[2.2.1]heptanylamino)butanamide has a molecular weight of 196.29 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanylamino)butanamide is sourced from PubChem (CID 61309555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).