(4R)-4-hydroxy-N-[(Z)-(4-methylphenyl)methylideneamino]-4-phenylbutanamide

C18H20N2O2 — CID 96886075

IUPAC(4R)-4-hydroxy-N-[(Z)-(4-methylphenyl)methylideneamino]-4-phenylbutanamide
SMILESCc1ccc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O2/c1-14-7-9-15(10-8-14)13-19-20-18(22)12-11-17(21)16-5-3-2-4-6-16/h2-10,13,17,21H,11-12H2,1H3,(H,20,22)/b19-13-/t17-/m1/s1
InChIKeyCNEUZNCXIBIMPM-MCRQTXEHSA-N
MW296.37 g/mol
LogP2.96
Rot. Bonds6

About (4R)-4-hydroxy-N-[(Z)-(4-methylphenyl)methylideneamino]-4-phenylbutanamide

(4R)-4-hydroxy-N-[(Z)-(4-methylphenyl)methylideneamino]-4-phenylbutanamide (PubChem CID 96886075) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (4R)-4-hydroxy-N-[(Z)-(4-methylphenyl)methylideneamino]-4-phenylbutanamide.

Molecular Properties

Compound Name(4R)-4-hydroxy-N-[(Z)-(4-methylphenyl)methylideneamino]-4-phenylbutanamide
PubChem CID96886075
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(4R)-4-hydroxy-N-[(Z)-(4-methylphenyl)methylideneamino]-4-phenylbutanamide
SMILESCc1ccc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O2/c1-14-7-9-15(10-8-14)13-19-20-18(22)12-11-17(21)16-5-3-2-4-6-16/h2-10,13,17,21H,11-12H2,1H3,(H,20,22)/b19-13-/t17-/m1/s1
InChIKeyCNEUZNCXIBIMPM-MCRQTXEHSA-N
XLogP2.96
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(4S)-N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide
CID 40650959
N-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 762054
(4S)-N-[(Z)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4-hydroxy-4-phenylbutanamide
CID 94833779
(4R)-4-(4-ethoxyphenyl)-4-hydroxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanamide
CID 96874114
(4R)-4-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-phenylbutanamide
CID 94833727
(4S)-4-hydroxy-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-4-phenylbutanamide
CID 94833769
N-(benzylideneamino)-4-(4-methylanilino)butanamide
CID 3551130
(4R)-4-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]-4-phenylbutanamide
CID 94833743
N-[(E)-(4-methylphenyl)methylideneamino]octanamide
CID 6042307
N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 6106681
N'-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide
CID 5078091
N-(2-fluorophenyl)-N'-[(4-methylphenyl)methylideneamino]butanediamide
CID 3954724

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-N-[(Z)-(4-methylphenyl)methylideneamino]-4-phenylbutanamide?
The IUPAC name of (4R)-4-hydroxy-N-[(Z)-(4-methylphenyl)methylideneamino]-4-phenylbutanamide (CID 96886075) is (4R)-4-hydroxy-N-[(Z)-(4-methylphenyl)methylideneamino]-4-phenylbutanamide.
What is the SMILES notation for (4R)-4-hydroxy-N-[(Z)-(4-methylphenyl)methylideneamino]-4-phenylbutanamide?
The canonical SMILES for (4R)-4-hydroxy-N-[(Z)-(4-methylphenyl)methylideneamino]-4-phenylbutanamide is Cc1ccc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1.
What is the InChIKey of (4R)-4-hydroxy-N-[(Z)-(4-methylphenyl)methylideneamino]-4-phenylbutanamide?
The InChIKey is CNEUZNCXIBIMPM-MCRQTXEHSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-14-7-9-15(10-8-14)13-19-20-18(22)12-11-17(21)16-5-3-2-4-6-16/h2-10,13,17,21H,11-12H2,1H3,(H,20,22)/b19-13-/t17-/m1/s1.
What are the key properties of (4R)-4-hydroxy-N-[(Z)-(4-methylphenyl)methylideneamino]-4-phenylbutanamide?
(4R)-4-hydroxy-N-[(Z)-(4-methylphenyl)methylideneamino]-4-phenylbutanamide has a molecular weight of 296.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-N-[(Z)-(4-methylphenyl)methylideneamino]-4-phenylbutanamide is sourced from PubChem (CID 96886075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).