N-(methoxymethyl)-N,2,2-trimethylbutanamide

C9H19NO2 — CID 58226288

IUPACN-(methoxymethyl)-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)COC
InChIInChI=1S/C9H19NO2/c1-6-9(2,3)8(11)10(4)7-12-5/h6-7H2,1-5H3
InChIKeyYQDQJNCMVZYNNA-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.48
Rot. Bonds4

About N-(methoxymethyl)-N,2,2-trimethylbutanamide

N-(methoxymethyl)-N,2,2-trimethylbutanamide (PubChem CID 58226288) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(methoxymethyl)-N,2,2-trimethylbutanamide.

Molecular Properties

Compound NameN-(methoxymethyl)-N,2,2-trimethylbutanamide
PubChem CID58226288
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(methoxymethyl)-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)COC
InChIInChI=1S/C9H19NO2/c1-6-9(2,3)8(11)10(4)7-12-5/h6-7H2,1-5H3
InChIKeyYQDQJNCMVZYNNA-UHFFFAOYSA-N
XLogP1.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(dimethylamino)methyl]-N,2,2-trimethylbutanamide
CID 20588097
N-(2-amino-3-methoxypropyl)-N,2,2-trimethylbutanamide
CID 63754024
N-(5-hydroxypentyl)-N,2,2-trimethylbutanamide
CID 107202384
N-(3-hydroxybutyl)-N,2,2-trimethylbutanamide
CID 111695856
N-ethyl-N-(methoxymethyl)-2,2-dimethylpropanamide
CID 176739143
N-(methoxymethyl)-N-methyl-1-triethylsilylformamide
CID 11447277
N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide
CID 81484329
N-[(2-methoxy-3-pyridinyl)methyl]-N,2,2-trimethylbutanamide
CID 121446669
N-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide
CID 104553489
N-but-2-en-2-yl-N,2,2-trimethylbutanamide
CID 123139486
2-amino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide
CID 79810651
N-ethyl-N,2,2,4,4-pentamethylpentanamide
CID 149411745

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-N,2,2-trimethylbutanamide?
The IUPAC name of N-(methoxymethyl)-N,2,2-trimethylbutanamide (CID 58226288) is N-(methoxymethyl)-N,2,2-trimethylbutanamide.
What is the SMILES notation for N-(methoxymethyl)-N,2,2-trimethylbutanamide?
The canonical SMILES for N-(methoxymethyl)-N,2,2-trimethylbutanamide is CCC(C)(C)C(=O)N(C)COC.
What is the InChIKey of N-(methoxymethyl)-N,2,2-trimethylbutanamide?
The InChIKey is YQDQJNCMVZYNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6-9(2,3)8(11)10(4)7-12-5/h6-7H2,1-5H3.
What are the key properties of N-(methoxymethyl)-N,2,2-trimethylbutanamide?
N-(methoxymethyl)-N,2,2-trimethylbutanamide has a molecular weight of 173.26 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-N,2,2-trimethylbutanamide is sourced from PubChem (CID 58226288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).