N-(2-methylpropoxy)butanamide

C8H17NO2 — CID 87986570

IUPACN-(2-methylpropoxy)butanamide
SMILESCCCC(=O)NOCC(C)C
InChIInChI=1S/C8H17NO2/c1-4-5-8(10)9-11-6-7(2)3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyNDQMKFWAXFUBFO-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.49
Rot. Bonds5

About N-(2-methylpropoxy)butanamide

N-(2-methylpropoxy)butanamide (PubChem CID 87986570) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(2-methylpropoxy)butanamide.

Molecular Properties

Compound NameN-(2-methylpropoxy)butanamide
PubChem CID87986570
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-(2-methylpropoxy)butanamide
SMILESCCCC(=O)NOCC(C)C
InChIInChI=1S/C8H17NO2/c1-4-5-8(10)9-11-6-7(2)3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyNDQMKFWAXFUBFO-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-methylpropoxy)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-N-(2-methylpropoxy)pentanamide
CID 82721233
N-(2-methylpropoxy)-2-(propylamino)acetamide
CID 82722668
4-amino-4-methyl-N-(2-methylpropoxy)pentanamide
CID 82723032
N-propan-2-yloxybutanamide
CID 88970223
3-cyclopentyl-N-(2-methylpropoxy)propanamide
CID 115409709
N-(2-amino-2-oxoethoxy)butanamide
CID 112550491
N-(2-methylpropoxy)-3-(2,2,2-trifluoroethoxy)propanamide
CID 115410172
2-(tert-butylamino)-N-(2-methylpropoxy)acetamide
CID 115410316
N-(2-methylpropoxy)-3-piperidin-4-ylpropanamide
CID 82722183
2-amino-N-(2-methylpropoxy)propanamide
CID 82721936
2-methylpropyl 3-oxohexanoate
CID 162232006
1-ethyl-1-methyl-3-(2-methylpropoxy)urea
CID 115752940

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)butanamide?
The IUPAC name of N-(2-methylpropoxy)butanamide (CID 87986570) is N-(2-methylpropoxy)butanamide.
What is the SMILES notation for N-(2-methylpropoxy)butanamide?
The canonical SMILES for N-(2-methylpropoxy)butanamide is CCCC(=O)NOCC(C)C.
What is the InChIKey of N-(2-methylpropoxy)butanamide?
The InChIKey is NDQMKFWAXFUBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-5-8(10)9-11-6-7(2)3/h7H,4-6H2,1-3H3,(H,9,10).
What are the key properties of N-(2-methylpropoxy)butanamide?
N-(2-methylpropoxy)butanamide has a molecular weight of 159.23 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)butanamide is sourced from PubChem (CID 87986570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).