ethane;2-methyl-N-propan-2-yloxybutanamide

C10H23NO2 — CID 171077918

IUPACethane;2-methyl-N-propan-2-yloxybutanamide
SMILESCC.CCC(C)C(=O)NOC(C)C
InChIInChI=1S/C8H17NO2.C2H6/c1-5-7(4)8(10)9-11-6(2)3;1-2/h6-7H,5H2,1-4H3,(H,9,10);1-2H3
InChIKeyQQZYRSUVJAERLE-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.51
Rot. Bonds4

About ethane;2-methyl-N-propan-2-yloxybutanamide

ethane;2-methyl-N-propan-2-yloxybutanamide (PubChem CID 171077918) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is ethane;2-methyl-N-propan-2-yloxybutanamide.

Molecular Properties

Compound Nameethane;2-methyl-N-propan-2-yloxybutanamide
PubChem CID171077918
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Nameethane;2-methyl-N-propan-2-yloxybutanamide
SMILESCC.CCC(C)C(=O)NOC(C)C
InChIInChI=1S/C8H17NO2.C2H6/c1-5-7(4)8(10)9-11-6(2)3;1-2/h6-7H,5H2,1-4H3,(H,9,10);1-2H3
InChIKeyQQZYRSUVJAERLE-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl (2R)-2-methylbutanoate
CID 143689114
N-propan-2-yloxybutanamide
CID 88970223
ethane;ethyl 2-methylbutanoate
CID 144747106
ethane;N-ethyl-2-methylbutanamide
CID 145471862
3-chloro-N-propan-2-yloxypropanamide
CID 130815573
2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
methyl 2-methylbutanoate;methyl 2-methylpropanoate
CID 175395072
ethane;2-methylbutanoic acid
CID 87621166
N-acetyl-2-methylbutanamide
CID 59565834
2-methylbutanoylcarbamic acid
CID 87928192
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
ethyl (4S)-4-methyl-3-oxohexanoate
CID 58970620

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-propan-2-yloxybutanamide?
The IUPAC name of ethane;2-methyl-N-propan-2-yloxybutanamide (CID 171077918) is ethane;2-methyl-N-propan-2-yloxybutanamide.
What is the SMILES notation for ethane;2-methyl-N-propan-2-yloxybutanamide?
The canonical SMILES for ethane;2-methyl-N-propan-2-yloxybutanamide is CC.CCC(C)C(=O)NOC(C)C.
What is the InChIKey of ethane;2-methyl-N-propan-2-yloxybutanamide?
The InChIKey is QQZYRSUVJAERLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.C2H6/c1-5-7(4)8(10)9-11-6(2)3;1-2/h6-7H,5H2,1-4H3,(H,9,10);1-2H3.
What are the key properties of ethane;2-methyl-N-propan-2-yloxybutanamide?
ethane;2-methyl-N-propan-2-yloxybutanamide has a molecular weight of 189.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-propan-2-yloxybutanamide is sourced from PubChem (CID 171077918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).