(E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2,3,4-trimethylpent-2-enamide

C16H23NO5 — CID 23874742

IUPAC(E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2,3,4-trimethylpent-2-enamide
SMILESC/C(C(=O)NO)=C(/C)[C@@H](C)[C@@H](O)c1ccc(OCCO)cc1
InChIInChI=1S/C16H23NO5/c1-10(12(3)16(20)17-21)11(2)15(19)13-4-6-14(7-5-13)22-9-8-18/h4-7,11,15,18-19,21H,8-9H2,1-3H3,(H,17,20)/b12-10+/t11-,15-/m1/s1
InChIKeyLAAOYUKVVUXIIS-CSUUCDFFSA-N
MW309.36 g/mol
LogP1.57
Rot. Bonds7

About (E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2,3,4-trimethylpent-2-enamide

(E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2,3,4-trimethylpent-2-enamide (PubChem CID 23874742) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is (E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2,3,4-trimethylpent-2-enamide.

Molecular Properties

Compound Name(E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2,3,4-trimethylpent-2-enamide
PubChem CID23874742
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name(E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2,3,4-trimethylpent-2-enamide
SMILESC/C(C(=O)NO)=C(/C)[C@@H](C)[C@@H](O)c1ccc(OCCO)cc1
InChIInChI=1S/C16H23NO5/c1-10(12(3)16(20)17-21)11(2)15(19)13-4-6-14(7-5-13)22-9-8-18/h4-7,11,15,18-19,21H,8-9H2,1-3H3,(H,17,20)/b12-10+/t11-,15-/m1/s1
InChIKeyLAAOYUKVVUXIIS-CSUUCDFFSA-N
XLogP1.57
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E,4E,6R,7S)-N,7-dihydroxy-7-[4-(2-hydroxyethoxy)phenyl]-3,6-dimethylhepta-2,4-dienamide
CID 23789283
(E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-4-methoxypent-2-enamide
CID 23892787
2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol
CID 20544404
(E,5S)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-3-methylpent-2-enamide
CID 23846706
[(E,1R,2R)-5-(hydroxyamino)-1-[4-(2-hydroxyethoxy)phenyl]-2-methoxy-3,4-dimethyl-5-oxopent-3-enyl] N-(2,4-difluorophenyl)carbamate
CID 23789274
(E,4R,5R)-4-ethoxy-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]pent-2-enamide
CID 23920856
[(3R,4R)-4-hydroxy-4-[4-(2-hydroxyethoxy)phenyl]-3-methylbutyl] 2-sulfanylacetate
CID 23808057
ethyl (2E,4E,8R,9S)-9-hydroxy-9-[4-(2-hydroxyethoxy)phenyl]-3,8-dimethylnona-2,4-dienoate
CID 23760348
2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-3-methylbut-3-en-1-one
CID 122419863
3-[4-(2-hydroxyethoxy)phenyl]pent-4-en-2-one
CID 70468095
(E,6S,7S)-N-(2-aminophenyl)-7-hydroxy-7-[4-(2-hydroxyethoxy)phenyl]-6-methylhept-2-enamide
CID 23864980
2-[4-(1-aminopropan-2-yl)phenoxy]ethanol
CID 117285604

Frequently Asked Questions

What is the IUPAC name of (E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2,3,4-trimethylpent-2-enamide?
The IUPAC name of (E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2,3,4-trimethylpent-2-enamide (CID 23874742) is (E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2,3,4-trimethylpent-2-enamide.
What is the SMILES notation for (E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2,3,4-trimethylpent-2-enamide?
The canonical SMILES for (E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2,3,4-trimethylpent-2-enamide is C/C(C(=O)NO)=C(/C)[C@@H](C)[C@@H](O)c1ccc(OCCO)cc1.
What is the InChIKey of (E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2,3,4-trimethylpent-2-enamide?
The InChIKey is LAAOYUKVVUXIIS-CSUUCDFFSA-N. The full InChI is InChI=1S/C16H23NO5/c1-10(12(3)16(20)17-21)11(2)15(19)13-4-6-14(7-5-13)22-9-8-18/h4-7,11,15,18-19,21H,8-9H2,1-3H3,(H,17,20)/b12-10+/t11-,15-/m1/s1.
What are the key properties of (E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2,3,4-trimethylpent-2-enamide?
(E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2,3,4-trimethylpent-2-enamide has a molecular weight of 309.36 g/mol, XLogP of 1.57, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2,3,4-trimethylpent-2-enamide is sourced from PubChem (CID 23874742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).