N-(1-adamantyl)-N-ethyl-2-methylprop-2-enamide

C16H25NO — CID 23534003

IUPACN-(1-adamantyl)-N-ethyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO/c1-4-17(15(18)11(2)3)16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,2,4-10H2,1,3H3
InChIKeyFTGHTPYDGGRESE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.38
Rot. Bonds3

About N-(1-adamantyl)-N-ethyl-2-methylprop-2-enamide

N-(1-adamantyl)-N-ethyl-2-methylprop-2-enamide (PubChem CID 23534003) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(1-adamantyl)-N-ethyl-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(1-adamantyl)-N-ethyl-2-methylprop-2-enamide
PubChem CID23534003
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(1-adamantyl)-N-ethyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO/c1-4-17(15(18)11(2)3)16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,2,4-10H2,1,3H3
InChIKeyFTGHTPYDGGRESE-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(1-adamantyl)-N-ethyl-2-methylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-buta-1,3-dien-2-yl-N-ethyladamantan-1-amine
CID 146322771
1-(1-adamantyl)-2-methylprop-2-en-1-one
CID 67607526
N-(1-adamantyl)-N-(3-amino-3-sulfanylidenepropyl)acetamide
CID 82104197
N-(1-adamantyl)-N-fluoroacetamide
CID 154140531
1-(1-adamantyl)-1-propylthiourea
CID 87366146
3-[1-adamantyl(2-methylprop-2-enyl)amino]-2-methylpropanoic acid
CID 82329838
N-(1-adamantyl)-N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 4795702
1-(1-adamantyl)-2,2-dimethylbutan-1-one
CID 123820208
1-(1-adamantyl)propan-2-one;methane
CID 157057031
adamantane;bis(2-methylprop-2-enoic acid)
CID 146540937
N-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide
CID 23534016
6-[1-adamantyl(carbamoyl)amino]-2-fluorohexanoic acid
CID 87610427

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-N-ethyl-2-methylprop-2-enamide?
The IUPAC name of N-(1-adamantyl)-N-ethyl-2-methylprop-2-enamide (CID 23534003) is N-(1-adamantyl)-N-ethyl-2-methylprop-2-enamide.
What is the SMILES notation for N-(1-adamantyl)-N-ethyl-2-methylprop-2-enamide?
The canonical SMILES for N-(1-adamantyl)-N-ethyl-2-methylprop-2-enamide is C=C(C)C(=O)N(CC)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-N-ethyl-2-methylprop-2-enamide?
The InChIKey is FTGHTPYDGGRESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-17(15(18)11(2)3)16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,2,4-10H2,1,3H3.
What are the key properties of N-(1-adamantyl)-N-ethyl-2-methylprop-2-enamide?
N-(1-adamantyl)-N-ethyl-2-methylprop-2-enamide has a molecular weight of 247.38 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-N-ethyl-2-methylprop-2-enamide is sourced from PubChem (CID 23534003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).