2-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-2-(2-methylpropyl)pentanamide

C18H28N2O3 — CID 6885906

IUPAC2-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-2-(2-methylpropyl)pentanamide
SMILESCOc1ccc(/C=N/NC(=O)C(O)(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-13(2)10-18(22,11-14(3)4)17(21)20-19-12-15-6-8-16(23-5)9-7-15/h6-9,12-14,22H,10-11H2,1-5H3,(H,20,21)/b19-12+
InChIKeyXQCVWMCVACMZGS-XDHOZWIPSA-N
MW320.43 g/mol
LogP2.97
Rot. Bonds8

About 2-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-2-(2-methylpropyl)pentanamide

2-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-2-(2-methylpropyl)pentanamide (PubChem CID 6885906) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-2-(2-methylpropyl)pentanamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-2-(2-methylpropyl)pentanamide
PubChem CID6885906
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-2-(2-methylpropyl)pentanamide
SMILESCOc1ccc(/C=N/NC(=O)C(O)(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-13(2)10-18(22,11-14(3)4)17(21)20-19-12-15-6-8-16(23-5)9-7-15/h6-9,12-14,22H,10-11H2,1-5H3,(H,20,21)/b19-12+
InChIKeyXQCVWMCVACMZGS-XDHOZWIPSA-N
XLogP2.97
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide
CID 6861549
(2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 840626
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[(4-methoxyphenyl)methylideneamino]heptanamide
CID 4283844
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527
(2R)-N-[(4-methoxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 793131
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 6390033
N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 2590460
2-(4-methoxyanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide
CID 5063444
1,3-bis[(4-methoxyphenyl)methylideneamino]thiourea
CID 712024
N',N'-diethyl-N-[(4-methoxyphenyl)methylideneamino]oxamide
CID 5115674

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-2-(2-methylpropyl)pentanamide?
The IUPAC name of 2-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-2-(2-methylpropyl)pentanamide (CID 6885906) is 2-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-2-(2-methylpropyl)pentanamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-2-(2-methylpropyl)pentanamide?
The canonical SMILES for 2-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-2-(2-methylpropyl)pentanamide is COc1ccc(/C=N/NC(=O)C(O)(CC(C)C)CC(C)C)cc1.
What is the InChIKey of 2-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-2-(2-methylpropyl)pentanamide?
The InChIKey is XQCVWMCVACMZGS-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(2)10-18(22,11-14(3)4)17(21)20-19-12-15-6-8-16(23-5)9-7-15/h6-9,12-14,22H,10-11H2,1-5H3,(H,20,21)/b19-12+.
What are the key properties of 2-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-2-(2-methylpropyl)pentanamide?
2-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-2-(2-methylpropyl)pentanamide has a molecular weight of 320.43 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-2-(2-methylpropyl)pentanamide is sourced from PubChem (CID 6885906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).