N-(5-hydroxy-4-methylpentyl)pent-4-enamide

C11H21NO2 — CID 103861440

IUPACN-(5-hydroxy-4-methylpentyl)pent-4-enamide
SMILESC=CCCC(=O)NCCCC(C)CO
InChIInChI=1S/C11H21NO2/c1-3-4-7-11(14)12-8-5-6-10(2)9-13/h3,10,13H,1,4-9H2,2H3,(H,12,14)
InChIKeyMEGJETJASLAKAB-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.48
Rot. Bonds8

About N-(5-hydroxy-4-methylpentyl)pent-4-enamide

N-(5-hydroxy-4-methylpentyl)pent-4-enamide (PubChem CID 103861440) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)pent-4-enamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)pent-4-enamide
PubChem CID103861440
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(5-hydroxy-4-methylpentyl)pent-4-enamide
SMILESC=CCCC(=O)NCCCC(C)CO
InChIInChI=1S/C11H21NO2/c1-3-4-7-11(14)12-8-5-6-10(2)9-13/h3,10,13H,1,4-9H2,2H3,(H,12,14)
InChIKeyMEGJETJASLAKAB-UHFFFAOYSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-2-methylpent-4-enamide
CID 13435877
2-(3-Acetamidopropyl)pent-4-enoic acid
CID 20736857
N-(1-hydroxy-3-methylbutan-2-yl)pent-4-enamide
CID 79252550
(Z)-N-(5-hydroxypentyl)hex-3-enamide
CID 89805033
4-Ethenyl-3-(2-hydroxyethyl)pyrrolidin-2-one
CID 118203183
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]pent-4-enamide
CID 118867173
N-(3-ethenyl-5,6-dihydroxyhexyl)propanamide
CID 123574183
(2R)-2-ethenyl-N-(2-hydroxyethyl)pentanamide
CID 126716827
N-[(2R,4R)-4-[(1S)-1,2-dihydroxyethyl]-2-methylhex-5-enyl]propanamide
CID 132255297
N-(1-hydroxy-3,3-dimethylbutan-2-yl)-2-(3-hydroxypropyl)pent-4-enamide
CID 138641838
N-[(2S)-1-hydroxybutan-2-yl]-2-methylpent-4-enamide
CID 140231698
(2S)-2-(3-hydroxypropyl)-N-methylpent-4-enamide
CID 141002372

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)pent-4-enamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)pent-4-enamide (CID 103861440) is N-(5-hydroxy-4-methylpentyl)pent-4-enamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)pent-4-enamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)pent-4-enamide is C=CCCC(=O)NCCCC(C)CO.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)pent-4-enamide?
The InChIKey is MEGJETJASLAKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-4-7-11(14)12-8-5-6-10(2)9-13/h3,10,13H,1,4-9H2,2H3,(H,12,14).
What are the key properties of N-(5-hydroxy-4-methylpentyl)pent-4-enamide?
N-(5-hydroxy-4-methylpentyl)pent-4-enamide has a molecular weight of 199.29 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)pent-4-enamide is sourced from PubChem (CID 103861440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).