N,N-dimethyl-4-propan-2-yloxybutanamide

C9H19NO2 — CID 58139943

IUPACN,N-dimethyl-4-propan-2-yloxybutanamide
SMILESCC(C)OCCCC(=O)N(C)C
InChIInChI=1S/C9H19NO2/c1-8(2)12-7-5-6-9(11)10(3)4/h8H,5-7H2,1-4H3
InChIKeyPYXHCCRULGJOEA-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.28
Rot. Bonds5

About N,N-dimethyl-4-propan-2-yloxybutanamide

N,N-dimethyl-4-propan-2-yloxybutanamide (PubChem CID 58139943) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N,N-dimethyl-4-propan-2-yloxybutanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-propan-2-yloxybutanamide
PubChem CID58139943
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN,N-dimethyl-4-propan-2-yloxybutanamide
SMILESCC(C)OCCCC(=O)N(C)C
InChIInChI=1S/C9H19NO2/c1-8(2)12-7-5-6-9(11)10(3)4/h8H,5-7H2,1-4H3
InChIKeyPYXHCCRULGJOEA-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N,N-dimethylbutanamide
CID 11228870
N,N-dimethyl-2-(1,4,8,11-tetraoxacyclotetradec-2-yl)acetamide
CID 14570014
4-methoxy-N,N,2-trimethylbutanamide
CID 14463400
[4-(Dimethylamino)-4-oxobutyl] acetate
CID 57130630
3,4-dimethoxy-N,N-dimethylbutanamide
CID 57142074
N-methyl-4-propan-2-yloxybutanamide
CID 57832468
N-methoxy-N-methyl-4-propan-2-yloxybutanamide
CID 58139932
4-Propan-2-yloxy-1-pyrrolidin-1-ylbutan-1-one
CID 58140120
N-cyclopropyl-4-propan-2-yloxy-N-propylbutanamide
CID 58375896
4-methoxy-N,N,3-trimethylbutanamide
CID 80195826
3-ethoxy-4-(2-ethoxyethoxy)-N,N-dimethylbutanamide
CID 88619919
4-ethoxy-N,N-dimethylhexanamide
CID 90071105

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propan-2-yloxybutanamide?
The IUPAC name of N,N-dimethyl-4-propan-2-yloxybutanamide (CID 58139943) is N,N-dimethyl-4-propan-2-yloxybutanamide.
What is the SMILES notation for N,N-dimethyl-4-propan-2-yloxybutanamide?
The canonical SMILES for N,N-dimethyl-4-propan-2-yloxybutanamide is CC(C)OCCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-4-propan-2-yloxybutanamide?
The InChIKey is PYXHCCRULGJOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2)12-7-5-6-9(11)10(3)4/h8H,5-7H2,1-4H3.
What are the key properties of N,N-dimethyl-4-propan-2-yloxybutanamide?
N,N-dimethyl-4-propan-2-yloxybutanamide has a molecular weight of 173.26 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propan-2-yloxybutanamide is sourced from PubChem (CID 58139943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).