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

C17H29NO2 — CID 90624054

IUPACN-[(2-methoxy-2-adamantyl)methyl]pentanamide
SMILESCCCCC(=O)NCC1(OC)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H29NO2/c1-3-4-5-16(19)18-11-17(20-2)14-7-12-6-13(9-14)10-15(17)8-12/h12-15H,3-11H2,1-2H3,(H,18,19)
InChIKeyQLQPYRVTWZTENS-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.13
Rot. Bonds6

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

N-[(2-methoxy-2-adamantyl)methyl]pentanamide (PubChem CID 90624054) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[(2-methoxy-2-adamantyl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(2-methoxy-2-adamantyl)methyl]pentanamide
PubChem CID90624054
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[(2-methoxy-2-adamantyl)methyl]pentanamide
SMILESCCCCC(=O)NCC1(OC)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H29NO2/c1-3-4-5-16(19)18-11-17(20-2)14-7-12-6-13(9-14)10-15(17)8-12/h12-15H,3-11H2,1-2H3,(H,18,19)
InChIKeyQLQPYRVTWZTENS-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.13
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]pentanamide?
The IUPAC name of N-[(2-methoxy-2-adamantyl)methyl]pentanamide (CID 90624054) is N-[(2-methoxy-2-adamantyl)methyl]pentanamide.
What is the SMILES notation for N-[(2-methoxy-2-adamantyl)methyl]pentanamide?
The canonical SMILES for N-[(2-methoxy-2-adamantyl)methyl]pentanamide is CCCCC(=O)NCC1(OC)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(2-methoxy-2-adamantyl)methyl]pentanamide?
The InChIKey is QLQPYRVTWZTENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-4-5-16(19)18-11-17(20-2)14-7-12-6-13(9-14)10-15(17)8-12/h12-15H,3-11H2,1-2H3,(H,18,19).
What are the key properties of N-[(2-methoxy-2-adamantyl)methyl]pentanamide?
N-[(2-methoxy-2-adamantyl)methyl]pentanamide has a molecular weight of 279.42 g/mol, XLogP of 3.13, 6 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]pentanamide is sourced from PubChem (CID 90624054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).