(2S)-2-hydroxy-N-[(E)-(4-pentoxyphenyl)methylideneamino]-2-phenylacetamide

C20H24N2O3 — CID 51671415

IUPAC(2S)-2-hydroxy-N-[(E)-(4-pentoxyphenyl)methylideneamino]-2-phenylacetamide
SMILESCCCCCOc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-2-3-7-14-25-18-12-10-16(11-13-18)15-21-22-20(24)19(23)17-8-5-4-6-9-17/h4-6,8-13,15,19,23H,2-3,7,14H2,1H3,(H,22,24)/b21-15+/t19-/m0/s1
InChIKeyUNMZIWKUEFMHFV-QTKYHAHDSA-N
MW340.42 g/mol
LogP3.44
Rot. Bonds9

About (2S)-2-hydroxy-N-[(E)-(4-pentoxyphenyl)methylideneamino]-2-phenylacetamide

(2S)-2-hydroxy-N-[(E)-(4-pentoxyphenyl)methylideneamino]-2-phenylacetamide (PubChem CID 51671415) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[(E)-(4-pentoxyphenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-[(E)-(4-pentoxyphenyl)methylideneamino]-2-phenylacetamide
PubChem CID51671415
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2S)-2-hydroxy-N-[(E)-(4-pentoxyphenyl)methylideneamino]-2-phenylacetamide
SMILESCCCCCOc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-2-3-7-14-25-18-12-10-16(11-13-18)15-21-22-20(24)19(23)17-8-5-4-6-9-17/h4-6,8-13,15,19,23H,2-3,7,14H2,1H3,(H,22,24)/b21-15+/t19-/m0/s1
InChIKeyUNMZIWKUEFMHFV-QTKYHAHDSA-N
XLogP3.44
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 126267893
(2R)-2-hydroxy-2-phenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 1368192
(2R)-2-hydroxy-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 40516770
[4-[[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 5007447
N-[(Z)-(4-ethylphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 6087706
N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 9074224
[(E)-(4-pentoxyphenyl)methylideneamino]urea
CID 6909458
(2S)-2-hydroxy-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 126153771
N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide
CID 46501793
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
[(E)-(4-heptoxyphenyl)methylideneamino]urea
CID 14915218
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[(E)-(4-pentoxyphenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of (2S)-2-hydroxy-N-[(E)-(4-pentoxyphenyl)methylideneamino]-2-phenylacetamide (CID 51671415) is (2S)-2-hydroxy-N-[(E)-(4-pentoxyphenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-hydroxy-N-[(E)-(4-pentoxyphenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-hydroxy-N-[(E)-(4-pentoxyphenyl)methylideneamino]-2-phenylacetamide is CCCCCOc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-hydroxy-N-[(E)-(4-pentoxyphenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is UNMZIWKUEFMHFV-QTKYHAHDSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-3-7-14-25-18-12-10-16(11-13-18)15-21-22-20(24)19(23)17-8-5-4-6-9-17/h4-6,8-13,15,19,23H,2-3,7,14H2,1H3,(H,22,24)/b21-15+/t19-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-[(E)-(4-pentoxyphenyl)methylideneamino]-2-phenylacetamide?
(2S)-2-hydroxy-N-[(E)-(4-pentoxyphenyl)methylideneamino]-2-phenylacetamide has a molecular weight of 340.42 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-[(E)-(4-pentoxyphenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 51671415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).