(2R,3S)-2-(benzylamino)-3,4-bis(phenylmethoxy)butanenitrile

C25H26N2O2 — CID 11825219

IUPAC(2R,3S)-2-(benzylamino)-3,4-bis(phenylmethoxy)butanenitrile
SMILESN#C[C@@H](NCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C25H26N2O2/c26-16-24(27-17-21-10-4-1-5-11-21)25(29-19-23-14-8-3-9-15-23)20-28-18-22-12-6-2-7-13-22/h1-15,24-25,27H,17-20H2/t24-,25-/m1/s1
InChIKeySYXBGASMGLZGCK-JWQCQUIFSA-N
MW386.50 g/mol
LogP4.47
Rot. Bonds11

About (2R,3S)-2-(benzylamino)-3,4-bis(phenylmethoxy)butanenitrile

(2R,3S)-2-(benzylamino)-3,4-bis(phenylmethoxy)butanenitrile (PubChem CID 11825219) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (2R,3S)-2-(benzylamino)-3,4-bis(phenylmethoxy)butanenitrile.

Molecular Properties

Compound Name(2R,3S)-2-(benzylamino)-3,4-bis(phenylmethoxy)butanenitrile
PubChem CID11825219
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name(2R,3S)-2-(benzylamino)-3,4-bis(phenylmethoxy)butanenitrile
SMILESN#C[C@@H](NCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C25H26N2O2/c26-16-24(27-17-21-10-4-1-5-11-21)25(29-19-23-14-8-3-9-15-23)20-28-18-22-12-6-2-7-13-22/h1-15,24-25,27H,17-20H2/t24-,25-/m1/s1
InChIKeySYXBGASMGLZGCK-JWQCQUIFSA-N
XLogP4.47
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(benzylamino)-3,4-bis(phenylmethoxy)butanenitrile?
The IUPAC name of (2R,3S)-2-(benzylamino)-3,4-bis(phenylmethoxy)butanenitrile (CID 11825219) is (2R,3S)-2-(benzylamino)-3,4-bis(phenylmethoxy)butanenitrile.
What is the SMILES notation for (2R,3S)-2-(benzylamino)-3,4-bis(phenylmethoxy)butanenitrile?
The canonical SMILES for (2R,3S)-2-(benzylamino)-3,4-bis(phenylmethoxy)butanenitrile is N#C[C@@H](NCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2R,3S)-2-(benzylamino)-3,4-bis(phenylmethoxy)butanenitrile?
The InChIKey is SYXBGASMGLZGCK-JWQCQUIFSA-N. The full InChI is InChI=1S/C25H26N2O2/c26-16-24(27-17-21-10-4-1-5-11-21)25(29-19-23-14-8-3-9-15-23)20-28-18-22-12-6-2-7-13-22/h1-15,24-25,27H,17-20H2/t24-,25-/m1/s1.
What are the key properties of (2R,3S)-2-(benzylamino)-3,4-bis(phenylmethoxy)butanenitrile?
(2R,3S)-2-(benzylamino)-3,4-bis(phenylmethoxy)butanenitrile has a molecular weight of 386.50 g/mol, XLogP of 4.47, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(benzylamino)-3,4-bis(phenylmethoxy)butanenitrile is sourced from PubChem (CID 11825219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).