N-ethyl-N-(1-hydroxybutan-2-yl)acetamide

C8H17NO2 — CID 123155214

IUPACN-ethyl-N-(1-hydroxybutan-2-yl)acetamide
SMILESCCC(CO)N(CC)C(C)=O
InChIInChI=1S/C8H17NO2/c1-4-8(6-10)9(5-2)7(3)11/h8,10H,4-6H2,1-3H3
InChIKeyNFVDJJOZVMXAIP-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.63
Rot. Bonds4

About N-ethyl-N-(1-hydroxybutan-2-yl)acetamide

N-ethyl-N-(1-hydroxybutan-2-yl)acetamide (PubChem CID 123155214) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-ethyl-N-(1-hydroxybutan-2-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(1-hydroxybutan-2-yl)acetamide
PubChem CID123155214
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-ethyl-N-(1-hydroxybutan-2-yl)acetamide
SMILESCCC(CO)N(CC)C(C)=O
InChIInChI=1S/C8H17NO2/c1-4-8(6-10)9(5-2)7(3)11/h8,10H,4-6H2,1-3H3
InChIKeyNFVDJJOZVMXAIP-UHFFFAOYSA-N
XLogP0.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N,N-dipropylacetamide
CID 13823567
Ethyl triethanolamine
CID 13634657
2-hydroxy-N,N-di(propan-2-yl)propanamide
CID 85746267
Acetyl-b-methylcholine chloride
CID 129705474
Acetyl-b-methylcholine bromide
CID 129722136
Acetyl-(1-hydroxypropan-2-yl)-dimethylazanium iodide
CID 129762977
N-[(2S)-1-hydroxybutan-2-yl]-N-prop-2-enylacetamide
CID 135084116
2,2,2-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
CID 61581990
2,2-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
CID 103513901
N-(1-fluoro-1-hydroxybutan-2-yl)-N-methylpropanamide
CID 142147177
2-hydroxy-N,N-di(propan-2-yl)acetamide
CID 11344158
(2R)-2-[bis(2-hydroxyethyl)amino]butan-1-ol
CID 13634658

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-hydroxybutan-2-yl)acetamide?
The IUPAC name of N-ethyl-N-(1-hydroxybutan-2-yl)acetamide (CID 123155214) is N-ethyl-N-(1-hydroxybutan-2-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(1-hydroxybutan-2-yl)acetamide?
The canonical SMILES for N-ethyl-N-(1-hydroxybutan-2-yl)acetamide is CCC(CO)N(CC)C(C)=O.
What is the InChIKey of N-ethyl-N-(1-hydroxybutan-2-yl)acetamide?
The InChIKey is NFVDJJOZVMXAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-8(6-10)9(5-2)7(3)11/h8,10H,4-6H2,1-3H3.
What are the key properties of N-ethyl-N-(1-hydroxybutan-2-yl)acetamide?
N-ethyl-N-(1-hydroxybutan-2-yl)acetamide has a molecular weight of 159.23 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-hydroxybutan-2-yl)acetamide is sourced from PubChem (CID 123155214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).