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

C14H19NO6 — CID 23892787

IUPAC(E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-4-methoxypent-2-enamide
SMILESCO[C@H](/C=C/C(=O)NO)[C@H](O)c1ccc(OCCO)cc1
InChIInChI=1S/C14H19NO6/c1-20-12(6-7-13(17)15-19)14(18)10-2-4-11(5-3-10)21-9-8-16/h2-7,12,14,16,18-19H,8-9H2,1H3,(H,15,17)/b7-6+/t12-,14-/m1/s1
InChIKeyNIHXIPGPJMUHOW-WQYAIIHGSA-N
MW297.31 g/mol
LogP0.17
Rot. Bonds8

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

(E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-4-methoxypent-2-enamide (PubChem CID 23892787) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is (E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-4-methoxypent-2-enamide.

Molecular Properties

Compound Name(E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-4-methoxypent-2-enamide
PubChem CID23892787
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name(E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-4-methoxypent-2-enamide
SMILESCO[C@H](/C=C/C(=O)NO)[C@H](O)c1ccc(OCCO)cc1
InChIInChI=1S/C14H19NO6/c1-20-12(6-7-13(17)15-19)14(18)10-2-4-11(5-3-10)21-9-8-16/h2-7,12,14,16,18-19H,8-9H2,1H3,(H,15,17)/b7-6+/t12-,14-/m1/s1
InChIKeyNIHXIPGPJMUHOW-WQYAIIHGSA-N
XLogP0.17
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

(E,4R,5R)-4-ethoxy-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]pent-2-enamide
CID 23920856
(2E,4E,6R,7S)-N,7-dihydroxy-7-[4-(2-hydroxyethoxy)phenyl]-3,6-dimethylhepta-2,4-dienamide
CID 23789283
(E,5S)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-3-methylpent-2-enamide
CID 23846706
[(E,1S,2R)-5-(hydroxyamino)-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-5-oxopent-3-enyl] N-benzoylcarbamate
CID 23836887
[(E,1S,2S)-2-ethoxy-5-(hydroxyamino)-1-[4-(2-hydroxyethoxy)phenyl]-5-oxopent-3-enyl] N-(4-acetylphenyl)carbamate
CID 23948946
(E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2,3,4-trimethylpent-2-enamide
CID 23874742
[(E,1R,2R)-5-(hydroxyamino)-1-[4-(2-hydroxyethoxy)phenyl]-5-oxo-2-phenoxypent-3-enyl] N-(4-methylsulfanylphenyl)carbamate
CID 23948907
[(E,1R,2R)-7-(hydroxyamino)-1-[4-(2-hydroxyethoxy)phenyl]-2-methoxy-7-oxohept-5-enyl] N-(4-methylsulfanylphenyl)carbamate
CID 23779232
[(E,1S)-5-(hydroxyamino)-1-[4-(2-hydroxyethoxy)phenyl]-2,2-dimethyl-5-oxopent-3-enyl] N-(4-bromophenyl)carbamate
CID 23948855
2,6-dihydroxy-3,5-bis[4-(2-hydroxyethoxy)phenyl]-2,6-dimethylheptan-4-one
CID 54106076
[(E,1S,2S)-5-(2-aminoanilino)-1-[4-(2-hydroxyethoxy)phenyl]-2-methoxy-5-oxopent-3-enyl] N-benzoylcarbamate
CID 23779305
[(1R,3E,5E)-7-(hydroxyamino)-1-[4-(2-hydroxyethoxy)phenyl]-7-oxohepta-3,5-dienyl] N-(4-methoxyphenyl)carbamate
CID 23818160

Frequently Asked Questions

What is the IUPAC name of (E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-4-methoxypent-2-enamide?
The IUPAC name of (E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-4-methoxypent-2-enamide (CID 23892787) is (E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-4-methoxypent-2-enamide.
What is the SMILES notation for (E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-4-methoxypent-2-enamide?
The canonical SMILES for (E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-4-methoxypent-2-enamide is CO[C@H](/C=C/C(=O)NO)[C@H](O)c1ccc(OCCO)cc1.
What is the InChIKey of (E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-4-methoxypent-2-enamide?
The InChIKey is NIHXIPGPJMUHOW-WQYAIIHGSA-N. The full InChI is InChI=1S/C14H19NO6/c1-20-12(6-7-13(17)15-19)14(18)10-2-4-11(5-3-10)21-9-8-16/h2-7,12,14,16,18-19H,8-9H2,1H3,(H,15,17)/b7-6+/t12-,14-/m1/s1.
What are the key properties of (E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-4-methoxypent-2-enamide?
(E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-4-methoxypent-2-enamide has a molecular weight of 297.31 g/mol, XLogP of 0.17, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R,5R)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-4-methoxypent-2-enamide is sourced from PubChem (CID 23892787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).