N-(1-adamantylmethyl)-2,2-dimethylpropanamide

C16H27NO — CID 4112017

IUPACN-(1-adamantylmethyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO/c1-15(2,3)14(18)17-10-16-7-11-4-12(8-16)6-13(5-11)9-16/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyBCSXBYINRXFTCG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.37
Rot. Bonds2

About N-(1-adamantylmethyl)-2,2-dimethylpropanamide

N-(1-adamantylmethyl)-2,2-dimethylpropanamide (PubChem CID 4112017) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2,2-dimethylpropanamide
PubChem CID4112017
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-(1-adamantylmethyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO/c1-15(2,3)14(18)17-10-16-7-11-4-12(8-16)6-13(5-11)9-16/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyBCSXBYINRXFTCG-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(1-adamantylmethyl)-2,2-dimethylpropanamide (CID 4112017) is N-(1-adamantylmethyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(1-adamantylmethyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2,2-dimethylpropanamide?
The InChIKey is BCSXBYINRXFTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-15(2,3)14(18)17-10-16-7-11-4-12(8-16)6-13(5-11)9-16/h11-13H,4-10H2,1-3H3,(H,17,18).
What are the key properties of N-(1-adamantylmethyl)-2,2-dimethylpropanamide?
N-(1-adamantylmethyl)-2,2-dimethylpropanamide has a molecular weight of 249.40 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 4112017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).