2-(2-adamantylamino)-N-propylpropanamide

C16H28N2O — CID 43224055

IUPAC2-(2-adamantylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H28N2O/c1-3-4-17-16(19)10(2)18-15-13-6-11-5-12(8-13)9-14(15)7-11/h10-15,18H,3-9H2,1-2H3,(H,17,19)
InChIKeyJIHOADCANNHZJX-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.32
Rot. Bonds5

About 2-(2-adamantylamino)-N-propylpropanamide

2-(2-adamantylamino)-N-propylpropanamide (PubChem CID 43224055) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(2-adamantylamino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(2-adamantylamino)-N-propylpropanamide
PubChem CID43224055
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-(2-adamantylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H28N2O/c1-3-4-17-16(19)10(2)18-15-13-6-11-5-12(8-13)9-14(15)7-11/h10-15,18H,3-9H2,1-2H3,(H,17,19)
InChIKeyJIHOADCANNHZJX-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantylamino)-N-propylpropanamide?
The IUPAC name of 2-(2-adamantylamino)-N-propylpropanamide (CID 43224055) is 2-(2-adamantylamino)-N-propylpropanamide.
What is the SMILES notation for 2-(2-adamantylamino)-N-propylpropanamide?
The canonical SMILES for 2-(2-adamantylamino)-N-propylpropanamide is CCCNC(=O)C(C)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-adamantylamino)-N-propylpropanamide?
The InChIKey is JIHOADCANNHZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-4-17-16(19)10(2)18-15-13-6-11-5-12(8-13)9-14(15)7-11/h10-15,18H,3-9H2,1-2H3,(H,17,19).
What are the key properties of 2-(2-adamantylamino)-N-propylpropanamide?
2-(2-adamantylamino)-N-propylpropanamide has a molecular weight of 264.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantylamino)-N-propylpropanamide is sourced from PubChem (CID 43224055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).