N-ethyl-N-(3-hydroxypropyl)-4-methoxy-3-methylbutanamide

C11H23NO3 — CID 115772100

IUPACN-ethyl-N-(3-hydroxypropyl)-4-methoxy-3-methylbutanamide
SMILESCCN(CCCO)C(=O)CC(C)COC
InChIInChI=1S/C11H23NO3/c1-4-12(6-5-7-13)11(14)8-10(2)9-15-3/h10,13H,4-9H2,1-3H3
InChIKeySLUNJRHAZXWBLW-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.89
Rot. Bonds8

About N-ethyl-N-(3-hydroxypropyl)-4-methoxy-3-methylbutanamide

N-ethyl-N-(3-hydroxypropyl)-4-methoxy-3-methylbutanamide (PubChem CID 115772100) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-4-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-4-methoxy-3-methylbutanamide
PubChem CID115772100
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-4-methoxy-3-methylbutanamide
SMILESCCN(CCCO)C(=O)CC(C)COC
InChIInChI=1S/C11H23NO3/c1-4-12(6-5-7-13)11(14)8-10(2)9-15-3/h10,13H,4-9H2,1-3H3
InChIKeySLUNJRHAZXWBLW-UHFFFAOYSA-N
XLogP0.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-hydroxypropyl)-3,4,4-trimethylpentanamide
CID 115771733
2-[2-(dimethylamino)ethyl-(4-methoxy-3-methylbutanoyl)amino]acetic acid
CID 103802618
5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965425
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-1-ol
CID 61067521
N-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide
CID 115771825
N-ethyl-N-(3-hydroxypropyl)decanamide
CID 115771581
N-ethyl-N-(3-hydroxypropyl)heptanamide
CID 115771582
2-[ethyl(3-hydroxypropyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 115666206
1-ethoxy-5-methoxy-4-methylpentan-2-one
CID 105114767
5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpentanamide
CID 79198964
3-[3-hydroxypropyl(3-methylbutanoyl)amino]propanoic acid
CID 82324051
(2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid
CID 104861849

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-4-methoxy-3-methylbutanamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-4-methoxy-3-methylbutanamide (CID 115772100) is N-ethyl-N-(3-hydroxypropyl)-4-methoxy-3-methylbutanamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-4-methoxy-3-methylbutanamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-4-methoxy-3-methylbutanamide is CCN(CCCO)C(=O)CC(C)COC.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-4-methoxy-3-methylbutanamide?
The InChIKey is SLUNJRHAZXWBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-12(6-5-7-13)11(14)8-10(2)9-15-3/h10,13H,4-9H2,1-3H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-4-methoxy-3-methylbutanamide?
N-ethyl-N-(3-hydroxypropyl)-4-methoxy-3-methylbutanamide has a molecular weight of 217.31 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)-4-methoxy-3-methylbutanamide is sourced from PubChem (CID 115772100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).