N-[(2-methoxy-2-adamantyl)methyl]-3-methylbutanamide

C17H29NO2 — CID 90624053

IUPACN-[(2-methoxy-2-adamantyl)methyl]-3-methylbutanamide
SMILESCOC1(CNC(=O)CC(C)C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H29NO2/c1-11(2)4-16(19)18-10-17(20-3)14-6-12-5-13(8-14)9-15(17)7-12/h11-15H,4-10H2,1-3H3,(H,18,19)
InChIKeyVPIQKYXSNYEUEC-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.99
Rot. Bonds5

About N-[(2-methoxy-2-adamantyl)methyl]-3-methylbutanamide

N-[(2-methoxy-2-adamantyl)methyl]-3-methylbutanamide (PubChem CID 90624053) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[(2-methoxy-2-adamantyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(2-methoxy-2-adamantyl)methyl]-3-methylbutanamide
PubChem CID90624053
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[(2-methoxy-2-adamantyl)methyl]-3-methylbutanamide
SMILESCOC1(CNC(=O)CC(C)C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H29NO2/c1-11(2)4-16(19)18-10-17(20-3)14-6-12-5-13(8-14)9-15(17)7-12/h11-15H,4-10H2,1-3H3,(H,18,19)
InChIKeyVPIQKYXSNYEUEC-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.99
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]-3-methylbutanamide?
The IUPAC name of N-[(2-methoxy-2-adamantyl)methyl]-3-methylbutanamide (CID 90624053) is N-[(2-methoxy-2-adamantyl)methyl]-3-methylbutanamide.
What is the SMILES notation for N-[(2-methoxy-2-adamantyl)methyl]-3-methylbutanamide?
The canonical SMILES for N-[(2-methoxy-2-adamantyl)methyl]-3-methylbutanamide is COC1(CNC(=O)CC(C)C)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(2-methoxy-2-adamantyl)methyl]-3-methylbutanamide?
The InChIKey is VPIQKYXSNYEUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-11(2)4-16(19)18-10-17(20-3)14-6-12-5-13(8-14)9-15(17)7-12/h11-15H,4-10H2,1-3H3,(H,18,19).
What are the key properties of N-[(2-methoxy-2-adamantyl)methyl]-3-methylbutanamide?
N-[(2-methoxy-2-adamantyl)methyl]-3-methylbutanamide has a molecular weight of 279.42 g/mol, XLogP of 2.99, 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]-3-methylbutanamide is sourced from PubChem (CID 90624053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).