3-(2-adamantylamino)-N-ethylpropanamide

C15H26N2O — CID 113409667

IUPAC3-(2-adamantylamino)-N-ethylpropanamide
SMILESCCNC(=O)CCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H26N2O/c1-2-16-14(18)3-4-17-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-13,15,17H,2-9H2,1H3,(H,16,18)
InChIKeyHUXVMOPLFRTHSQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.93
Rot. Bonds5

About 3-(2-adamantylamino)-N-ethylpropanamide

3-(2-adamantylamino)-N-ethylpropanamide (PubChem CID 113409667) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-(2-adamantylamino)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(2-adamantylamino)-N-ethylpropanamide
PubChem CID113409667
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-(2-adamantylamino)-N-ethylpropanamide
SMILESCCNC(=O)CCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H26N2O/c1-2-16-14(18)3-4-17-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-13,15,17H,2-9H2,1H3,(H,16,18)
InChIKeyHUXVMOPLFRTHSQ-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-adamantyl)butanamide
CID 894015
N-(adamantan-2-yl)acetamide
CID 64498
N-2-adamantylcyclopropanecarboxamide
CID 883585
N-2-adamantylcyclopentanecarboxamide
CID 8178360
N-2-Adamantyl-3-oxobutanamide
CID 879553
N'-(2-adamantyl)-N-(2-methylpropyl)pentanediamide
CID 164620519
2-Adamantylamine, N-trifluoroacetyl-
CID 3888613
N-(Adamantan-1-yl)-3-(trimethylazaniumyl)propanimidate--hydrogen iodide (1/1)
CID 64219
Propionamide, N-1-adamantyl-3-(diethylamino)-, monohydrochloride
CID 64221
Propionamide, N-(1-adamantyl)-3-(diethylamino)-
CID 64222
Propionamide, N-1-adamantyl-3-(dimethylamino)-, monohydrochloride
CID 64241
Propionamide, N-(1-adamantyl)-3-(dimethylamino)-
CID 64242

Frequently Asked Questions

What is the IUPAC name of 3-(2-adamantylamino)-N-ethylpropanamide?
The IUPAC name of 3-(2-adamantylamino)-N-ethylpropanamide (CID 113409667) is 3-(2-adamantylamino)-N-ethylpropanamide.
What is the SMILES notation for 3-(2-adamantylamino)-N-ethylpropanamide?
The canonical SMILES for 3-(2-adamantylamino)-N-ethylpropanamide is CCNC(=O)CCNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 3-(2-adamantylamino)-N-ethylpropanamide?
The InChIKey is HUXVMOPLFRTHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-2-16-14(18)3-4-17-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-13,15,17H,2-9H2,1H3,(H,16,18).
What are the key properties of 3-(2-adamantylamino)-N-ethylpropanamide?
3-(2-adamantylamino)-N-ethylpropanamide has a molecular weight of 250.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-adamantylamino)-N-ethylpropanamide is sourced from PubChem (CID 113409667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).