(2R)-4-(dibenzylamino)-6-methyl-2-propan-2-yloxyoxan-3-ol

C23H31NO3 — CID 140848009

IUPAC(2R)-4-(dibenzylamino)-6-methyl-2-propan-2-yloxyoxan-3-ol
SMILESCC(C)O[C@@H]1OC(C)CC(N(Cc2ccccc2)Cc2ccccc2)C1O
InChIInChI=1S/C23H31NO3/c1-17(2)26-23-22(25)21(14-18(3)27-23)24(15-19-10-6-4-7-11-19)16-20-12-8-5-9-13-20/h4-13,17-18,21-23,25H,14-16H2,1-3H3/t18?,21?,22?,23-/m1/s1
InChIKeyKKVYOSXEIJRTOE-IWIZJVIGSA-N
MW369.50 g/mol
LogP3.98
Rot. Bonds7

About (2R)-4-(dibenzylamino)-6-methyl-2-propan-2-yloxyoxan-3-ol

(2R)-4-(dibenzylamino)-6-methyl-2-propan-2-yloxyoxan-3-ol (PubChem CID 140848009) has the molecular formula C23H31NO3 and a molecular weight of 369.50 g/mol. Its IUPAC name is (2R)-4-(dibenzylamino)-6-methyl-2-propan-2-yloxyoxan-3-ol.

Molecular Properties

Compound Name(2R)-4-(dibenzylamino)-6-methyl-2-propan-2-yloxyoxan-3-ol
PubChem CID140848009
Molecular FormulaC23H31NO3
Molecular Weight369.50 g/mol
Exact Mass369.23
IUPAC Name(2R)-4-(dibenzylamino)-6-methyl-2-propan-2-yloxyoxan-3-ol
SMILESCC(C)O[C@@H]1OC(C)CC(N(Cc2ccccc2)Cc2ccccc2)C1O
InChIInChI=1S/C23H31NO3/c1-17(2)26-23-22(25)21(14-18(3)27-23)24(15-19-10-6-4-7-11-19)16-20-12-8-5-9-13-20/h4-13,17-18,21-23,25H,14-16H2,1-3H3/t18?,21?,22?,23-/m1/s1
InChIKeyKKVYOSXEIJRTOE-IWIZJVIGSA-N
XLogP3.98
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(dibenzylamino)-6-methyl-2-propan-2-yloxyoxan-3-ol?
The IUPAC name of (2R)-4-(dibenzylamino)-6-methyl-2-propan-2-yloxyoxan-3-ol (CID 140848009) is (2R)-4-(dibenzylamino)-6-methyl-2-propan-2-yloxyoxan-3-ol.
What is the SMILES notation for (2R)-4-(dibenzylamino)-6-methyl-2-propan-2-yloxyoxan-3-ol?
The canonical SMILES for (2R)-4-(dibenzylamino)-6-methyl-2-propan-2-yloxyoxan-3-ol is CC(C)O[C@@H]1OC(C)CC(N(Cc2ccccc2)Cc2ccccc2)C1O.
What is the InChIKey of (2R)-4-(dibenzylamino)-6-methyl-2-propan-2-yloxyoxan-3-ol?
The InChIKey is KKVYOSXEIJRTOE-IWIZJVIGSA-N. The full InChI is InChI=1S/C23H31NO3/c1-17(2)26-23-22(25)21(14-18(3)27-23)24(15-19-10-6-4-7-11-19)16-20-12-8-5-9-13-20/h4-13,17-18,21-23,25H,14-16H2,1-3H3/t18?,21?,22?,23-/m1/s1.
What are the key properties of (2R)-4-(dibenzylamino)-6-methyl-2-propan-2-yloxyoxan-3-ol?
(2R)-4-(dibenzylamino)-6-methyl-2-propan-2-yloxyoxan-3-ol has a molecular weight of 369.50 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(dibenzylamino)-6-methyl-2-propan-2-yloxyoxan-3-ol is sourced from PubChem (CID 140848009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).