N-(3-methoxypropyl)-3,3-dimethylpentanamide

C11H23NO2 — CID 130272308

IUPACN-(3-methoxypropyl)-3,3-dimethylpentanamide
SMILESCCC(C)(C)CC(=O)NCCCOC
InChIInChI=1S/C11H23NO2/c1-5-11(2,3)9-10(13)12-7-6-8-14-4/h5-9H2,1-4H3,(H,12,13)
InChIKeySEPBLMGYDDWFKR-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.97
Rot. Bonds7

About N-(3-methoxypropyl)-3,3-dimethylpentanamide

N-(3-methoxypropyl)-3,3-dimethylpentanamide (PubChem CID 130272308) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3,3-dimethylpentanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3,3-dimethylpentanamide
PubChem CID130272308
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-(3-methoxypropyl)-3,3-dimethylpentanamide
SMILESCCC(C)(C)CC(=O)NCCCOC
InChIInChI=1S/C11H23NO2/c1-5-11(2,3)9-10(13)12-7-6-8-14-4/h5-9H2,1-4H3,(H,12,13)
InChIKeySEPBLMGYDDWFKR-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.97
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

4-(3-methoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65298010
N-(3-methoxypropyl)-2,2-dimethylbutanamide
CID 4634900
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(3-methoxypropyl)acetamide
CID 114154108
N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
N-(3-methoxypropyl)-2-[(2-methylpropan-2-yl)oxyamino]acetamide
CID 82723889
5-(3-ethenoxypropylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62932848
2-(2-methoxyethoxy)-N-(3-methoxypropyl)acetamide
CID 103601588
2,2-diiodo-N-(3-methoxypropyl)propanamide
CID 170194646
2,2-diethyl-4-(2-methoxyethylamino)-4-oxobutanoic acid
CID 43529310
N-(3-methoxypropyl)-3-(propylamino)propanamide
CID 109011484
N-(4-methoxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605413
2,2-dichloro-N-(3-methoxypropyl)acetamide
CID 3598343

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3,3-dimethylpentanamide?
The IUPAC name of N-(3-methoxypropyl)-3,3-dimethylpentanamide (CID 130272308) is N-(3-methoxypropyl)-3,3-dimethylpentanamide.
What is the SMILES notation for N-(3-methoxypropyl)-3,3-dimethylpentanamide?
The canonical SMILES for N-(3-methoxypropyl)-3,3-dimethylpentanamide is CCC(C)(C)CC(=O)NCCCOC.
What is the InChIKey of N-(3-methoxypropyl)-3,3-dimethylpentanamide?
The InChIKey is SEPBLMGYDDWFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-11(2,3)9-10(13)12-7-6-8-14-4/h5-9H2,1-4H3,(H,12,13).
What are the key properties of N-(3-methoxypropyl)-3,3-dimethylpentanamide?
N-(3-methoxypropyl)-3,3-dimethylpentanamide has a molecular weight of 201.31 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3,3-dimethylpentanamide is sourced from PubChem (CID 130272308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).