(2R,3R)-N-[(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enyl]-2,3-bis(phenylmethoxy)pent-4-en-1-amine

C38H43NO4 — CID 46915682

IUPAC(2R,3R)-N-[(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enyl]-2,3-bis(phenylmethoxy)pent-4-en-1-amine
SMILESC=C[C@@H](OCc1ccccc1)[C@@H](CNC[C@@H](OCc1ccccc1)[C@@H](C=C)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C38H43NO4/c1-3-35(40-27-31-17-9-5-10-18-31)37(42-29-33-21-13-7-14-22-33)25-39-26-38(43-30-34-23-15-8-16-24-34)36(4-2)41-28-32-19-11-6-12-20-32/h3-24,35-39H,1-2,25-30H2/t35-,36-,37-,38-/m1/s1
InChIKeyLKJLVSYADPHLPT-SIMZDOAPSA-N
MW577.77 g/mol
LogP7.29
Rot. Bonds20

About (2R,3R)-N-[(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enyl]-2,3-bis(phenylmethoxy)pent-4-en-1-amine

(2R,3R)-N-[(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enyl]-2,3-bis(phenylmethoxy)pent-4-en-1-amine (PubChem CID 46915682) has the molecular formula C38H43NO4 and a molecular weight of 577.77 g/mol. Its IUPAC name is (2R,3R)-N-[(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enyl]-2,3-bis(phenylmethoxy)pent-4-en-1-amine.

Molecular Properties

Compound Name(2R,3R)-N-[(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enyl]-2,3-bis(phenylmethoxy)pent-4-en-1-amine
PubChem CID46915682
Molecular FormulaC38H43NO4
Molecular Weight577.77 g/mol
Exact Mass577.32
IUPAC Name(2R,3R)-N-[(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enyl]-2,3-bis(phenylmethoxy)pent-4-en-1-amine
SMILESC=C[C@@H](OCc1ccccc1)[C@@H](CNC[C@@H](OCc1ccccc1)[C@@H](C=C)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C38H43NO4/c1-3-35(40-27-31-17-9-5-10-18-31)37(42-29-33-21-13-7-14-22-33)25-39-26-38(43-30-34-23-15-8-16-24-34)36(4-2)41-28-32-19-11-6-12-20-32/h3-24,35-39H,1-2,25-30H2/t35-,36-,37-,38-/m1/s1
InChIKeyLKJLVSYADPHLPT-SIMZDOAPSA-N
XLogP7.29
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.77
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal
CID 56926974
4-methylpent-1-en-3-yloxymethylbenzene
CID 14644024
(NZ)-N-[(3R,4R)-3,4-bis(phenylmethoxy)hex-5-enylidene]hydroxylamine
CID 23240840
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888
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
[(1R)-1-methoxyprop-2-enoxy]methylbenzene
CID 126647784
(2S,3R,4R)-4-phenylmethoxyhex-5-ene-2,3-diol
CID 46855133
1-chloroprop-2-enoxymethylbenzene
CID 175273540
(2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal
CID 100963665
[(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1S)-1-phenylmethoxyprop-2-ynyl]pent-4-enoxy]methylbenzene
CID 11082024

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enyl]-2,3-bis(phenylmethoxy)pent-4-en-1-amine?
The IUPAC name of (2R,3R)-N-[(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enyl]-2,3-bis(phenylmethoxy)pent-4-en-1-amine (CID 46915682) is (2R,3R)-N-[(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enyl]-2,3-bis(phenylmethoxy)pent-4-en-1-amine.
What is the SMILES notation for (2R,3R)-N-[(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enyl]-2,3-bis(phenylmethoxy)pent-4-en-1-amine?
The canonical SMILES for (2R,3R)-N-[(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enyl]-2,3-bis(phenylmethoxy)pent-4-en-1-amine is C=C[C@@H](OCc1ccccc1)[C@@H](CNC[C@@H](OCc1ccccc1)[C@@H](C=C)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2R,3R)-N-[(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enyl]-2,3-bis(phenylmethoxy)pent-4-en-1-amine?
The InChIKey is LKJLVSYADPHLPT-SIMZDOAPSA-N. The full InChI is InChI=1S/C38H43NO4/c1-3-35(40-27-31-17-9-5-10-18-31)37(42-29-33-21-13-7-14-22-33)25-39-26-38(43-30-34-23-15-8-16-24-34)36(4-2)41-28-32-19-11-6-12-20-32/h3-24,35-39H,1-2,25-30H2/t35-,36-,37-,38-/m1/s1.
What are the key properties of (2R,3R)-N-[(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enyl]-2,3-bis(phenylmethoxy)pent-4-en-1-amine?
(2R,3R)-N-[(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enyl]-2,3-bis(phenylmethoxy)pent-4-en-1-amine has a molecular weight of 577.77 g/mol, XLogP of 7.29, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enyl]-2,3-bis(phenylmethoxy)pent-4-en-1-amine is sourced from PubChem (CID 46915682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).