N-(2-ethoxypropan-2-yl)butanamide

C9H19NO2 — CID 90731701

IUPACN-(2-ethoxypropan-2-yl)butanamide
SMILESCCCC(=O)NC(C)(C)OCC
InChIInChI=1S/C9H19NO2/c1-5-7-8(11)10-9(3,4)12-6-2/h5-7H2,1-4H3,(H,10,11)
InChIKeyCQRZPYJLSUYXOX-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.68
Rot. Bonds5

About N-(2-ethoxypropan-2-yl)butanamide

N-(2-ethoxypropan-2-yl)butanamide (PubChem CID 90731701) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(2-ethoxypropan-2-yl)butanamide.

Molecular Properties

Compound NameN-(2-ethoxypropan-2-yl)butanamide
PubChem CID90731701
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(2-ethoxypropan-2-yl)butanamide
SMILESCCCC(=O)NC(C)(C)OCC
InChIInChI=1S/C9H19NO2/c1-5-7-8(11)10-9(3,4)12-6-2/h5-7H2,1-4H3,(H,10,11)
InChIKeyCQRZPYJLSUYXOX-UHFFFAOYSA-N
XLogP1.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxy-2-methylpropyl)butanamide
CID 114944319
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)butanamide
CID 61121022
3-(butanoylamino)-4-methoxy-3-methylbutanoic acid
CID 115910326
ethyl 2-(butanoylamino)-3,3,3-trifluoro-2-hydroxypropanoate
CID 2781153
2-ethoxy-N-(2-ethoxypropan-2-yl)propan-2-amine
CID 22450253
N-(3-methylpentan-3-yl)hexanamide
CID 90883485
methyl 3,3-diethoxybutanoate
CID 176648277
(2R)-2-[amino(methyl)phosphoryl]-2-(butanoylamino)propanoic acid
CID 175415338
tert-butyl N-[2-(butanoylamino)ethyl]carbamate
CID 88931890
N-(2-hydroxypropan-2-yl)heptanamide
CID 139307065
diethyl 2-(butanoylamino)propanedioate
CID 13130446
N-(3,3-dimethylbutyl)butanamide
CID 115580246

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropan-2-yl)butanamide?
The IUPAC name of N-(2-ethoxypropan-2-yl)butanamide (CID 90731701) is N-(2-ethoxypropan-2-yl)butanamide.
What is the SMILES notation for N-(2-ethoxypropan-2-yl)butanamide?
The canonical SMILES for N-(2-ethoxypropan-2-yl)butanamide is CCCC(=O)NC(C)(C)OCC.
What is the InChIKey of N-(2-ethoxypropan-2-yl)butanamide?
The InChIKey is CQRZPYJLSUYXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-7-8(11)10-9(3,4)12-6-2/h5-7H2,1-4H3,(H,10,11).
What are the key properties of N-(2-ethoxypropan-2-yl)butanamide?
N-(2-ethoxypropan-2-yl)butanamide has a molecular weight of 173.26 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropan-2-yl)butanamide is sourced from PubChem (CID 90731701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).