N-(3-methoxypropyl)-2,2-dimethylbutanamide

C10H21NO2 — CID 4634900

IUPACN-(3-methoxypropyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCCOC
InChIInChI=1S/C10H21NO2/c1-5-10(2,3)9(12)11-7-6-8-13-4/h5-8H2,1-4H3,(H,11,12)
InChIKeyWDIXXXBIKZLQGB-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.58
Rot. Bonds6

About N-(3-methoxypropyl)-2,2-dimethylbutanamide

N-(3-methoxypropyl)-2,2-dimethylbutanamide (PubChem CID 4634900) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2,2-dimethylbutanamide
PubChem CID4634900
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-(3-methoxypropyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCCOC
InChIInChI=1S/C10H21NO2/c1-5-10(2,3)9(12)11-7-6-8-13-4/h5-8H2,1-4H3,(H,11,12)
InChIKeyWDIXXXBIKZLQGB-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
2,2-diiodo-N-(3-methoxypropyl)propanamide
CID 170194646
2-ethyl-N-(3-methoxypropyl)-2-methyloctanamide
CID 134590765
2-(ethylamino)-N-(4-methoxybutyl)-2-methylpropanamide
CID 62834257
N-(3-methoxypropyl)-3,3-dimethylpentanamide
CID 130272308
N-(4-aminobutyl)-2,2-dimethylbutanamide
CID 62677618
N-(6-iodohexyl)-2,2-dimethylbutanamide
CID 107848483
4-(3-methoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65298010
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,2-dimethylbutanamide
CID 103712407
N-cyclopropyl-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108957380
N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide
CID 106157342
3-methoxypropylurea
CID 2064040

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(3-methoxypropyl)-2,2-dimethylbutanamide (CID 4634900) is N-(3-methoxypropyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(3-methoxypropyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCCCOC.
What is the InChIKey of N-(3-methoxypropyl)-2,2-dimethylbutanamide?
The InChIKey is WDIXXXBIKZLQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-10(2,3)9(12)11-7-6-8-13-4/h5-8H2,1-4H3,(H,11,12).
What are the key properties of N-(3-methoxypropyl)-2,2-dimethylbutanamide?
N-(3-methoxypropyl)-2,2-dimethylbutanamide has a molecular weight of 187.28 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 4634900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).