(NZ)-N-[(3R,4R)-3,4-bis(phenylmethoxy)hex-5-enylidene]hydroxylamine

C20H23NO3 — CID 23240840

IUPAC(NZ)-N-[(3R,4R)-3,4-bis(phenylmethoxy)hex-5-enylidene]hydroxylamine
SMILESC=C[C@@H](OCc1ccccc1)[C@@H](C/C=N\O)OCc1ccccc1
InChIInChI=1S/C20H23NO3/c1-2-19(23-15-17-9-5-3-6-10-17)20(13-14-21-22)24-16-18-11-7-4-8-12-18/h2-12,14,19-20,22H,1,13,15-16H2/b21-14-/t19-,20-/m1/s1
InChIKeySUHNGKLLLGCXTM-XMCGGYMHSA-N
MW325.41 g/mol
LogP4.19
Rot. Bonds10

About (NZ)-N-[(3R,4R)-3,4-bis(phenylmethoxy)hex-5-enylidene]hydroxylamine

(NZ)-N-[(3R,4R)-3,4-bis(phenylmethoxy)hex-5-enylidene]hydroxylamine (PubChem CID 23240840) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (NZ)-N-[(3R,4R)-3,4-bis(phenylmethoxy)hex-5-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(3R,4R)-3,4-bis(phenylmethoxy)hex-5-enylidene]hydroxylamine
PubChem CID23240840
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(NZ)-N-[(3R,4R)-3,4-bis(phenylmethoxy)hex-5-enylidene]hydroxylamine
SMILESC=C[C@@H](OCc1ccccc1)[C@@H](C/C=N\O)OCc1ccccc1
InChIInChI=1S/C20H23NO3/c1-2-19(23-15-17-9-5-3-6-10-17)20(13-14-21-22)24-16-18-11-7-4-8-12-18/h2-12,14,19-20,22H,1,13,15-16H2/b21-14-/t19-,20-/m1/s1
InChIKeySUHNGKLLLGCXTM-XMCGGYMHSA-N
XLogP4.19
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
(2R,3R)-N-[(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enyl]-2,3-bis(phenylmethoxy)pent-4-en-1-amine
CID 46915682
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888
4-methylpent-1-en-3-yloxymethylbenzene
CID 14644024
(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal
CID 56926974
(2S,3R,4R)-4-phenylmethoxyhex-5-ene-2,3-diol
CID 46855133
penta-1,4-dien-3-yloxymethylbenzene
CID 102250646
[(1R,2S)-2-phenylmethoxy-1-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]but-3-enoxy]methylbenzene
CID 101489173
(2S,3R)-1-azido-3-phenylmethoxypent-4-en-2-ol;[(2S,3R)-1-azido-2-phenylmethoxypent-4-en-3-yl]oxymethylbenzene;bromomethylbenzene
CID 159201946
(3S,4S)-4-methyl-3-phenylmethoxyhex-5-enoic acid
CID 158311215
1-chloroprop-2-enoxymethylbenzene
CID 175273540
(2S,3S)-3-phenylmethoxybutane-1,2,4-triol
CID 10921802

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3R,4R)-3,4-bis(phenylmethoxy)hex-5-enylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(3R,4R)-3,4-bis(phenylmethoxy)hex-5-enylidene]hydroxylamine (CID 23240840) is (NZ)-N-[(3R,4R)-3,4-bis(phenylmethoxy)hex-5-enylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(3R,4R)-3,4-bis(phenylmethoxy)hex-5-enylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(3R,4R)-3,4-bis(phenylmethoxy)hex-5-enylidene]hydroxylamine is C=C[C@@H](OCc1ccccc1)[C@@H](C/C=N\O)OCc1ccccc1.
What is the InChIKey of (NZ)-N-[(3R,4R)-3,4-bis(phenylmethoxy)hex-5-enylidene]hydroxylamine?
The InChIKey is SUHNGKLLLGCXTM-XMCGGYMHSA-N. The full InChI is InChI=1S/C20H23NO3/c1-2-19(23-15-17-9-5-3-6-10-17)20(13-14-21-22)24-16-18-11-7-4-8-12-18/h2-12,14,19-20,22H,1,13,15-16H2/b21-14-/t19-,20-/m1/s1.
What are the key properties of (NZ)-N-[(3R,4R)-3,4-bis(phenylmethoxy)hex-5-enylidene]hydroxylamine?
(NZ)-N-[(3R,4R)-3,4-bis(phenylmethoxy)hex-5-enylidene]hydroxylamine has a molecular weight of 325.41 g/mol, XLogP of 4.19, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3R,4R)-3,4-bis(phenylmethoxy)hex-5-enylidene]hydroxylamine is sourced from PubChem (CID 23240840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).