N-(1-adamantylmethyl)-N-methylbutanamide

C16H27NO — CID 60682666

IUPACN-(1-adamantylmethyl)-N-methylbutanamide
SMILESCCCC(=O)N(C)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO/c1-3-4-15(18)17(2)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,3-11H2,1-2H3
InChIKeyPDBQGYPQAGBBJV-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.46
Rot. Bonds4

About N-(1-adamantylmethyl)-N-methylbutanamide

N-(1-adamantylmethyl)-N-methylbutanamide (PubChem CID 60682666) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-N-methylbutanamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-N-methylbutanamide
PubChem CID60682666
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-(1-adamantylmethyl)-N-methylbutanamide
SMILESCCCC(=O)N(C)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO/c1-3-4-15(18)17(2)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,3-11H2,1-2H3
InChIKeyPDBQGYPQAGBBJV-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112843919
N-(1-adamantylmethyl)-2-amino-N-methylbutanamide
CID 54870796
N-(1-adamantylmethyl)-N-methyl-3-(6-oxo-1H-pyridazin-3-yl)propanamide
CID 56721066
N-(1-adamantylmethyl)-N-methyl-2-(5-oxooxolan-3-yl)acetamide
CID 75427596
ethyl 4-[1-adamantylmethyl(methyl)carbamoyl]piperidine-1-carboxylate
CID 47013745
4-[1-adamantylmethyl(methyl)amino]-3-amino-4-oxobutanoic acid
CID 64894362
N-(1-adamantylmethyl)-N-methylpyrrolidine-2-carboxamide
CID 60711839
2-[1-adamantylmethyl(propyl)amino]acetic acid
CID 54899206
ethyl N-[1-[1-adamantylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 46431460
N-(1-adamantylmethyl)-N-methyl-2-(2-oxo-1-pyridinyl)acetamide
CID 51255120
2-[[2-(1-adamantyl)acetyl]-methylamino]acetic acid
CID 43169963
N-(aminomethyl)-N-methylbutanamide
CID 155070465

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-N-methylbutanamide?
The IUPAC name of N-(1-adamantylmethyl)-N-methylbutanamide (CID 60682666) is N-(1-adamantylmethyl)-N-methylbutanamide.
What is the SMILES notation for N-(1-adamantylmethyl)-N-methylbutanamide?
The canonical SMILES for N-(1-adamantylmethyl)-N-methylbutanamide is CCCC(=O)N(C)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-N-methylbutanamide?
The InChIKey is PDBQGYPQAGBBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-4-15(18)17(2)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,3-11H2,1-2H3.
What are the key properties of N-(1-adamantylmethyl)-N-methylbutanamide?
N-(1-adamantylmethyl)-N-methylbutanamide has a molecular weight of 249.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-N-methylbutanamide is sourced from PubChem (CID 60682666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).