3-butan-2-yloxy-N-ethyl-N-methylpropanamide

C10H21NO2 — CID 87235407

IUPAC3-butan-2-yloxy-N-ethyl-N-methylpropanamide
SMILESCCC(C)OCCC(=O)N(C)CC
InChIInChI=1S/C10H21NO2/c1-5-9(3)13-8-7-10(12)11(4)6-2/h9H,5-8H2,1-4H3
InChIKeyMDGQXMSBMMMOON-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.67
Rot. Bonds6

About 3-butan-2-yloxy-N-ethyl-N-methylpropanamide

3-butan-2-yloxy-N-ethyl-N-methylpropanamide (PubChem CID 87235407) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name3-butan-2-yloxy-N-ethyl-N-methylpropanamide
PubChem CID87235407
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-butan-2-yloxy-N-ethyl-N-methylpropanamide
SMILESCCC(C)OCCC(=O)N(C)CC
InChIInChI=1S/C10H21NO2/c1-5-9(3)13-8-7-10(12)11(4)6-2/h9H,5-8H2,1-4H3
InChIKeyMDGQXMSBMMMOON-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-butan-2-yloxy-N-ethyl-N-methylpropanamide 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

N-ethyl-N-methyl-3-propoxypropanamide
CID 87235290
3-(2-aminoethoxy)-N-ethyl-N-methylpropanamide
CID 162436526
N-methyl-N-(2-methylpropyl)-3-propan-2-yloxypropanamide
CID 164715630
N-ethyl-3-hexoxy-N-methylpropanamide
CID 87235746
5-amino-N-ethyl-N-methylhexanamide
CID 82848384
6-butan-2-yloxyhexan-3-one
CID 106801966
3-(2-butan-2-yloxyethoxy)propanoic acid
CID 59266758
N-ethyl-N,3-dimethylbutanamide
CID 18505916
N-(3-aminopropyl)-N-methyl-3-propan-2-yloxypropanamide
CID 43254246
N-ethyl-4-[ethyl(propan-2-yl)amino]-N-methylbutanamide
CID 146482077
ethane;2-(2-methoxyethoxy)butane
CID 168922397
3-cyclohexyloxy-N-ethyl-N-methylpropanamide
CID 67009773

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-ethyl-N-methylpropanamide?
The IUPAC name of 3-butan-2-yloxy-N-ethyl-N-methylpropanamide (CID 87235407) is 3-butan-2-yloxy-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 3-butan-2-yloxy-N-ethyl-N-methylpropanamide?
The canonical SMILES for 3-butan-2-yloxy-N-ethyl-N-methylpropanamide is CCC(C)OCCC(=O)N(C)CC.
What is the InChIKey of 3-butan-2-yloxy-N-ethyl-N-methylpropanamide?
The InChIKey is MDGQXMSBMMMOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-9(3)13-8-7-10(12)11(4)6-2/h9H,5-8H2,1-4H3.
What are the key properties of 3-butan-2-yloxy-N-ethyl-N-methylpropanamide?
3-butan-2-yloxy-N-ethyl-N-methylpropanamide has a molecular weight of 187.28 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 87235407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).