N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,2-dimethylpropanamide

C19H32N2O2 — CID 108539787

IUPACN-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H32N2O2/c1-18(2,3)17(23)21-5-4-20-16(22)12-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-15H,4-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyBZZQKNRJHLKFLT-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.87
Rot. Bonds5

About N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,2-dimethylpropanamide

N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,2-dimethylpropanamide (PubChem CID 108539787) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,2-dimethylpropanamide
PubChem CID108539787
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC NameN-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H32N2O2/c1-18(2,3)17(23)21-5-4-20-16(22)12-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-15H,4-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyBZZQKNRJHLKFLT-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(1-adamantyl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 134037248
2-(1-adamantyl)-N-(2-chloroethyl)acetamide
CID 79986232
2-(1-adamantyl)-N-(4-iodobutyl)acetamide
CID 106846218
2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 51163037
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108539714
2-(1-adamantyl)-N-(1-bromo-2-methylpropan-2-yl)acetamide
CID 113274075
2-(1-adamantyl)-N-oxidoacetamide
CID 2050150
2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 7601341
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108539720
N,2-bis(1-adamantyl)acetamide
CID 3906383
N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide
CID 47230622
2-(1-adamantyl)-N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)acetamide
CID 79989120

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,2-dimethylpropanamide (CID 108539787) is N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is BZZQKNRJHLKFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-18(2,3)17(23)21-5-4-20-16(22)12-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-15H,4-12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,2-dimethylpropanamide?
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 320.48 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 108539787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).