N-ethyl-4-hydroxy-3-methylpent-4-enamide

C8H15NO2 — CID 122658995

IUPACN-ethyl-4-hydroxy-3-methylpent-4-enamide
SMILESC=C(O)C(C)CC(=O)NCC
InChIInChI=1S/C8H15NO2/c1-4-9-8(11)5-6(2)7(3)10/h6,10H,3-5H2,1-2H3,(H,9,11)
InChIKeyKLBOWMQUYSNEEJ-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.22
Rot. Bonds4

About N-ethyl-4-hydroxy-3-methylpent-4-enamide

N-ethyl-4-hydroxy-3-methylpent-4-enamide (PubChem CID 122658995) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-ethyl-4-hydroxy-3-methylpent-4-enamide.

Molecular Properties

Compound NameN-ethyl-4-hydroxy-3-methylpent-4-enamide
PubChem CID122658995
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-ethyl-4-hydroxy-3-methylpent-4-enamide
SMILESC=C(O)C(C)CC(=O)NCC
InChIInChI=1S/C8H15NO2/c1-4-9-8(11)5-6(2)7(3)10/h6,10H,3-5H2,1-2H3,(H,9,11)
InChIKeyKLBOWMQUYSNEEJ-UHFFFAOYSA-N
XLogP1.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[2-(ethylamino)-2-oxoethyl]-3-methylbut-3-enoic acid
CID 118346927
N,N'-diethylpropanediamide
CID 4600245
N-ethyl-3,4-dihydroxybutanamide
CID 18386927
(3S)-N-ethyl-3,4-dihydroxybutanamide
CID 11286550
(3R)-3-methylpent-1-en-2-ol
CID 89203555
2-acetamido-5-(ethylamino)-5-oxopentanoic acid
CID 158833796
6-hydroxy-2,5-dimethylhept-6-enoic acid
CID 88859921
3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid
CID 62833119
3-methyl-N-(2-methylprop-2-enyl)pentanamide
CID 114875356
ethane;N-ethyl-2-methylbutanamide
CID 145471862
N-ethylpropanamide tetrafluoroborate
CID 88753462
ethane;N-ethyl-3-hydroxy-3-phenylpropanamide
CID 143411629

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-hydroxy-3-methylpent-4-enamide?
The IUPAC name of N-ethyl-4-hydroxy-3-methylpent-4-enamide (CID 122658995) is N-ethyl-4-hydroxy-3-methylpent-4-enamide.
What is the SMILES notation for N-ethyl-4-hydroxy-3-methylpent-4-enamide?
The canonical SMILES for N-ethyl-4-hydroxy-3-methylpent-4-enamide is C=C(O)C(C)CC(=O)NCC.
What is the InChIKey of N-ethyl-4-hydroxy-3-methylpent-4-enamide?
The InChIKey is KLBOWMQUYSNEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-9-8(11)5-6(2)7(3)10/h6,10H,3-5H2,1-2H3,(H,9,11).
What are the key properties of N-ethyl-4-hydroxy-3-methylpent-4-enamide?
N-ethyl-4-hydroxy-3-methylpent-4-enamide has a molecular weight of 157.21 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-hydroxy-3-methylpent-4-enamide is sourced from PubChem (CID 122658995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).