(E,4R)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide

C10H19NO2 — CID 163044166

IUPAC(E,4R)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide
SMILESCC[C@@H](O)/C=C/C(=O)NCC(C)C
InChIInChI=1S/C10H19NO2/c1-4-9(12)5-6-10(13)11-7-8(2)3/h5-6,8-9,12H,4,7H2,1-3H3,(H,11,13)/b6-5+/t9-/m1/s1
InChIKeyCHVSACQEPFATBT-VUHVRTRXSA-N
MW185.27 g/mol
LogP1.09
Rot. Bonds5

About (E,4R)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide

(E,4R)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide (PubChem CID 163044166) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (E,4R)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide.

Molecular Properties

Compound Name(E,4R)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide
PubChem CID163044166
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(E,4R)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide
SMILESCC[C@@H](O)/C=C/C(=O)NCC(C)C
InChIInChI=1S/C10H19NO2/c1-4-9(12)5-6-10(13)11-7-8(2)3/h5-6,8-9,12H,4,7H2,1-3H3,(H,11,13)/b6-5+/t9-/m1/s1
InChIKeyCHVSACQEPFATBT-VUHVRTRXSA-N
XLogP1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.09
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

(2E,7E,9E)-6,11-dihydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,7,9-trienamide
CID 71720071
(2E,6Z,8E,10R,11S)-10,11-dihydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8-trienamide
CID 71717033
(5E,7E,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-10-hydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one
CID 127029842
(2E,6E,8E)-10-hydroxy-N-(2-hydroxy-2-methylpropyl)-5-oxoundeca-2,6,8-trienamide
CID 127025457
ZP-amide A
CID 71719469
(E,4R,5R)-4,5-dihydroxy-N-(2-methylpropyl)oct-2-enamide
CID 11447544
ZP-amide D
CID 71717660
(2E,6E,8E,10S,11S)-10,11-dihydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8-trienamide
CID 127029504
(E,4S)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide
CID 12090207
ZP-amide C
CID 9839194
4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide
CID 73804405
(2E,6R,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxododeca-2,7,9-trienamide
CID 101357058

Frequently Asked Questions

What is the IUPAC name of (E,4R)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide?
The IUPAC name of (E,4R)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide (CID 163044166) is (E,4R)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide.
What is the SMILES notation for (E,4R)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide?
The canonical SMILES for (E,4R)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide is CC[C@@H](O)/C=C/C(=O)NCC(C)C.
What is the InChIKey of (E,4R)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide?
The InChIKey is CHVSACQEPFATBT-VUHVRTRXSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-9(12)5-6-10(13)11-7-8(2)3/h5-6,8-9,12H,4,7H2,1-3H3,(H,11,13)/b6-5+/t9-/m1/s1.
What are the key properties of (E,4R)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide?
(E,4R)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide is sourced from PubChem (CID 163044166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).