N-[(2-methoxy-2-adamantyl)methyl]butanamide

C16H27NO2 — CID 90624050

IUPACN-[(2-methoxy-2-adamantyl)methyl]butanamide
SMILESCCCC(=O)NCC1(OC)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H27NO2/c1-3-4-15(18)17-10-16(19-2)13-6-11-5-12(8-13)9-14(16)7-11/h11-14H,3-10H2,1-2H3,(H,17,18)
InChIKeyYKQGDENPIDPLDD-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.74
Rot. Bonds5

About N-[(2-methoxy-2-adamantyl)methyl]butanamide

N-[(2-methoxy-2-adamantyl)methyl]butanamide (PubChem CID 90624050) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(2-methoxy-2-adamantyl)methyl]butanamide.

Molecular Properties

Compound NameN-[(2-methoxy-2-adamantyl)methyl]butanamide
PubChem CID90624050
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[(2-methoxy-2-adamantyl)methyl]butanamide
SMILESCCCC(=O)NCC1(OC)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H27NO2/c1-3-4-15(18)17-10-16(19-2)13-6-11-5-12(8-13)9-14(16)7-11/h11-14H,3-10H2,1-2H3,(H,17,18)
InChIKeyYKQGDENPIDPLDD-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-2-adamantyl)methyl]butanamide?
The IUPAC name of N-[(2-methoxy-2-adamantyl)methyl]butanamide (CID 90624050) is N-[(2-methoxy-2-adamantyl)methyl]butanamide.
What is the SMILES notation for N-[(2-methoxy-2-adamantyl)methyl]butanamide?
The canonical SMILES for N-[(2-methoxy-2-adamantyl)methyl]butanamide is CCCC(=O)NCC1(OC)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(2-methoxy-2-adamantyl)methyl]butanamide?
The InChIKey is YKQGDENPIDPLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-4-15(18)17-10-16(19-2)13-6-11-5-12(8-13)9-14(16)7-11/h11-14H,3-10H2,1-2H3,(H,17,18).
What are the key properties of N-[(2-methoxy-2-adamantyl)methyl]butanamide?
N-[(2-methoxy-2-adamantyl)methyl]butanamide has a molecular weight of 265.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-2-adamantyl)methyl]butanamide is sourced from PubChem (CID 90624050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).