N-(3-ethyl-2-hydroxypentyl)-3-methylbut-2-enamide

C12H23NO2 — CID 103770596

IUPACN-(3-ethyl-2-hydroxypentyl)-3-methylbut-2-enamide
SMILESCCC(CC)C(O)CNC(=O)C=C(C)C
InChIInChI=1S/C12H23NO2/c1-5-10(6-2)11(14)8-13-12(15)7-9(3)4/h7,10-11,14H,5-6,8H2,1-4H3,(H,13,15)
InChIKeyFCTCOGSRLCFXOW-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.87
Rot. Bonds6

About N-(3-ethyl-2-hydroxypentyl)-3-methylbut-2-enamide

N-(3-ethyl-2-hydroxypentyl)-3-methylbut-2-enamide (PubChem CID 103770596) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-3-methylbut-2-enamide
PubChem CID103770596
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-3-methylbut-2-enamide
SMILESCCC(CC)C(O)CNC(=O)C=C(C)C
InChIInChI=1S/C12H23NO2/c1-5-10(6-2)11(14)8-13-12(15)7-9(3)4/h7,10-11,14H,5-6,8H2,1-4H3,(H,13,15)
InChIKeyFCTCOGSRLCFXOW-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103658528
4-[(3-ethyl-2-hydroxypentyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 114168261
1-(3-ethyl-2-hydroxypentyl)-3-propylurea
CID 103657880
N-(3-ethyl-2-hydroxypentyl)-5-hydroxypentanamide
CID 106288862
3-methyl-2-[(3-methylbut-2-enoylamino)methyl]butanoic acid
CID 65219891
N-(3-ethyl-2-hydroxypentyl)-2-methyl-3-(methylamino)propanamide
CID 103811142
4-ethoxy-N-(3-ethyl-2-hydroxypentyl)butanamide
CID 113234511
(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide
CID 103833109
2-hydroxyethyl N-(3-ethyl-2-hydroxypentyl)carbamate
CID 106288865
4-amino-N-(3-ethyl-2-hydroxypentyl)pentanamide;hydrochloride
CID 120562635
N-(3-ethyl-2-hydroxypentyl)-2-methylhexanamide
CID 114246674
3-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)butanamide
CID 114168522

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-3-methylbut-2-enamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-3-methylbut-2-enamide (CID 103770596) is N-(3-ethyl-2-hydroxypentyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-3-methylbut-2-enamide is CCC(CC)C(O)CNC(=O)C=C(C)C.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-3-methylbut-2-enamide?
The InChIKey is FCTCOGSRLCFXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-10(6-2)11(14)8-13-12(15)7-9(3)4/h7,10-11,14H,5-6,8H2,1-4H3,(H,13,15).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-3-methylbut-2-enamide?
N-(3-ethyl-2-hydroxypentyl)-3-methylbut-2-enamide has a molecular weight of 213.32 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-3-methylbut-2-enamide is sourced from PubChem (CID 103770596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).