N-[2-(diethylamino)propyl]adamantane-1-carboxamide

C18H32N2O — CID 112502200

IUPACN-[2-(diethylamino)propyl]adamantane-1-carboxamide
SMILESCCN(CC)C(C)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H32N2O/c1-4-20(5-2)13(3)12-19-17(21)18-9-14-6-15(10-18)8-16(7-14)11-18/h13-16H,4-12H2,1-3H3,(H,19,21)
InChIKeyWSLZMBRYWTWBEK-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.05
Rot. Bonds6

About N-[2-(diethylamino)propyl]adamantane-1-carboxamide

N-[2-(diethylamino)propyl]adamantane-1-carboxamide (PubChem CID 112502200) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]adamantane-1-carboxamide
PubChem CID112502200
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-[2-(diethylamino)propyl]adamantane-1-carboxamide
SMILESCCN(CC)C(C)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H32N2O/c1-4-20(5-2)13(3)12-19-17(21)18-9-14-6-15(10-18)8-16(7-14)11-18/h13-16H,4-12H2,1-3H3,(H,19,21)
InChIKeyWSLZMBRYWTWBEK-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(diethylamino)propyl]adamantane-1-carboxamide (CID 112502200) is N-[2-(diethylamino)propyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(diethylamino)propyl]adamantane-1-carboxamide is CCN(CC)C(C)CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(diethylamino)propyl]adamantane-1-carboxamide?
The InChIKey is WSLZMBRYWTWBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-4-20(5-2)13(3)12-19-17(21)18-9-14-6-15(10-18)8-16(7-14)11-18/h13-16H,4-12H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(diethylamino)propyl]adamantane-1-carboxamide?
N-[2-(diethylamino)propyl]adamantane-1-carboxamide has a molecular weight of 292.47 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]adamantane-1-carboxamide is sourced from PubChem (CID 112502200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).