benzyl (1Z)-N-[(1S)-2-hydroxy-1-phenylethoxy]-4-methoxybenzenecarboximidate

C23H23NO4 — CID 134883015

IUPACbenzyl (1Z)-N-[(1S)-2-hydroxy-1-phenylethoxy]-4-methoxybenzenecarboximidate
SMILESCOc1ccc(/C(=N/O[C@H](CO)c2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C23H23NO4/c1-26-21-14-12-20(13-15-21)23(27-17-18-8-4-2-5-9-18)24-28-22(16-25)19-10-6-3-7-11-19/h2-15,22,25H,16-17H2,1H3/b24-23-/t22-/m1/s1
InChIKeySWIVOEVQVHOGNX-PDWGEAQMSA-N
MW377.44 g/mol
LogP4.32
Rot. Bonds8

About benzyl (1Z)-N-[(1S)-2-hydroxy-1-phenylethoxy]-4-methoxybenzenecarboximidate

benzyl (1Z)-N-[(1S)-2-hydroxy-1-phenylethoxy]-4-methoxybenzenecarboximidate (PubChem CID 134883015) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is benzyl (1Z)-N-[(1S)-2-hydroxy-1-phenylethoxy]-4-methoxybenzenecarboximidate.

Molecular Properties

Compound Namebenzyl (1Z)-N-[(1S)-2-hydroxy-1-phenylethoxy]-4-methoxybenzenecarboximidate
PubChem CID134883015
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Namebenzyl (1Z)-N-[(1S)-2-hydroxy-1-phenylethoxy]-4-methoxybenzenecarboximidate
SMILESCOc1ccc(/C(=N/O[C@H](CO)c2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C23H23NO4/c1-26-21-14-12-20(13-15-21)23(27-17-18-8-4-2-5-9-18)24-28-22(16-25)19-10-6-3-7-11-19/h2-15,22,25H,16-17H2,1H3/b24-23-/t22-/m1/s1
InChIKeySWIVOEVQVHOGNX-PDWGEAQMSA-N
XLogP4.32
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z,2R)-1-[(1S)-2-hydroxy-1-phenylethoxy]imino-1-(4-methoxyphenyl)but-3-en-2-ol
CID 102400026
benzyl N-[(1S)-2-hydroxyimino-2-(4-methoxyphenyl)-1-phenylethyl]carbamate
CID 86596338
(2R)-3-[(4-methoxyphenyl)methoxy]-2-phenylpropan-1-ol
CID 101173435
benzyl N-[(2S)-2,3-dihydroxy-1-(4-methoxyphenyl)propyl]carbamate
CID 126575938
benzyl 4-(4-methoxyphenyl)-4-oxobutanoate
CID 14321218
(2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-3-phenylpropan-1-ol
CID 154717250
(2R)-2-methoxy-2-phenylethanol
CID 6950345
1-O,1-O-dibenzyl 2-O,3-O-bis[(4-methoxyphenyl)methyl] (2R)-propane-1,1,2,3-tetracarboxylate
CID 177420239
1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene
CID 22357970
benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 177492417
(E)-N-methoxy-1-(4-methoxyphenyl)-2-phenylethanimine
CID 21473328
(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 14760384

Frequently Asked Questions

What is the IUPAC name of benzyl (1Z)-N-[(1S)-2-hydroxy-1-phenylethoxy]-4-methoxybenzenecarboximidate?
The IUPAC name of benzyl (1Z)-N-[(1S)-2-hydroxy-1-phenylethoxy]-4-methoxybenzenecarboximidate (CID 134883015) is benzyl (1Z)-N-[(1S)-2-hydroxy-1-phenylethoxy]-4-methoxybenzenecarboximidate.
What is the SMILES notation for benzyl (1Z)-N-[(1S)-2-hydroxy-1-phenylethoxy]-4-methoxybenzenecarboximidate?
The canonical SMILES for benzyl (1Z)-N-[(1S)-2-hydroxy-1-phenylethoxy]-4-methoxybenzenecarboximidate is COc1ccc(/C(=N/O[C@H](CO)c2ccccc2)OCc2ccccc2)cc1.
What is the InChIKey of benzyl (1Z)-N-[(1S)-2-hydroxy-1-phenylethoxy]-4-methoxybenzenecarboximidate?
The InChIKey is SWIVOEVQVHOGNX-PDWGEAQMSA-N. The full InChI is InChI=1S/C23H23NO4/c1-26-21-14-12-20(13-15-21)23(27-17-18-8-4-2-5-9-18)24-28-22(16-25)19-10-6-3-7-11-19/h2-15,22,25H,16-17H2,1H3/b24-23-/t22-/m1/s1.
What are the key properties of benzyl (1Z)-N-[(1S)-2-hydroxy-1-phenylethoxy]-4-methoxybenzenecarboximidate?
benzyl (1Z)-N-[(1S)-2-hydroxy-1-phenylethoxy]-4-methoxybenzenecarboximidate has a molecular weight of 377.44 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (1Z)-N-[(1S)-2-hydroxy-1-phenylethoxy]-4-methoxybenzenecarboximidate is sourced from PubChem (CID 134883015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).