N-[(2-methoxy-3-pyridinyl)methyl]-N,2,2-trimethylbutanamide

C14H22N2O2 — CID 121446669

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1cccnc1OC
InChIInChI=1S/C14H22N2O2/c1-6-14(2,3)13(17)16(4)10-11-8-7-9-15-12(11)18-5/h7-9H,6,10H2,1-5H3
InChIKeyFZHMZUMSZAOMNL-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.48
Rot. Bonds5

About N-[(2-methoxy-3-pyridinyl)methyl]-N,2,2-trimethylbutanamide

N-[(2-methoxy-3-pyridinyl)methyl]-N,2,2-trimethylbutanamide (PubChem CID 121446669) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-N,2,2-trimethylbutanamide.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-N,2,2-trimethylbutanamide
PubChem CID121446669
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1cccnc1OC
InChIInChI=1S/C14H22N2O2/c1-6-14(2,3)13(17)16(4)10-11-8-7-9-15-12(11)18-5/h7-9H,6,10H2,1-5H3
InChIKeyFZHMZUMSZAOMNL-UHFFFAOYSA-N
XLogP2.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-N,2,2-trimethylbutanamide?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-N,2,2-trimethylbutanamide (CID 121446669) is N-[(2-methoxy-3-pyridinyl)methyl]-N,2,2-trimethylbutanamide.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-N,2,2-trimethylbutanamide?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-N,2,2-trimethylbutanamide is CCC(C)(C)C(=O)N(C)Cc1cccnc1OC.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-N,2,2-trimethylbutanamide?
The InChIKey is FZHMZUMSZAOMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-6-14(2,3)13(17)16(4)10-11-8-7-9-15-12(11)18-5/h7-9H,6,10H2,1-5H3.
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-N,2,2-trimethylbutanamide?
N-[(2-methoxy-3-pyridinyl)methyl]-N,2,2-trimethylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-N,2,2-trimethylbutanamide is sourced from PubChem (CID 121446669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).