2-(2-adamantylamino)-N-cyclopropylpropanamide

C16H26N2O — CID 78609315

IUPAC2-(2-adamantylamino)-N-cyclopropylpropanamide
SMILESCC(NC1C2CC3CC(C2)CC1C3)C(=O)NC1CC1
InChIInChI=1S/C16H26N2O/c1-9(16(19)18-14-2-3-14)17-15-12-5-10-4-11(7-12)8-13(15)6-10/h9-15,17H,2-8H2,1H3,(H,18,19)
InChIKeyBKVPYGMANMDCHG-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.07
Rot. Bonds4

About 2-(2-adamantylamino)-N-cyclopropylpropanamide

2-(2-adamantylamino)-N-cyclopropylpropanamide (PubChem CID 78609315) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(2-adamantylamino)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(2-adamantylamino)-N-cyclopropylpropanamide
PubChem CID78609315
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(2-adamantylamino)-N-cyclopropylpropanamide
SMILESCC(NC1C2CC3CC(C2)CC1C3)C(=O)NC1CC1
InChIInChI=1S/C16H26N2O/c1-9(16(19)18-14-2-3-14)17-15-12-5-10-4-11(7-12)8-13(15)6-10/h9-15,17H,2-8H2,1H3,(H,18,19)
InChIKeyBKVPYGMANMDCHG-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.07
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-cyclopropylpropanamide?
The IUPAC name of 2-(2-adamantylamino)-N-cyclopropylpropanamide (CID 78609315) is 2-(2-adamantylamino)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(2-adamantylamino)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(2-adamantylamino)-N-cyclopropylpropanamide is CC(NC1C2CC3CC(C2)CC1C3)C(=O)NC1CC1.
What is the InChIKey of 2-(2-adamantylamino)-N-cyclopropylpropanamide?
The InChIKey is BKVPYGMANMDCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-9(16(19)18-14-2-3-14)17-15-12-5-10-4-11(7-12)8-13(15)6-10/h9-15,17H,2-8H2,1H3,(H,18,19).
What are the key properties of 2-(2-adamantylamino)-N-cyclopropylpropanamide?
2-(2-adamantylamino)-N-cyclopropylpropanamide has a molecular weight of 262.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantylamino)-N-cyclopropylpropanamide is sourced from PubChem (CID 78609315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).