4-[(2S)-1-aminopentan-2-yl]-5,6-bis(4-chlorophenyl)morpholin-3-one

C21H24Cl2N2O2 — CID 90357016

IUPAC4-[(2S)-1-aminopentan-2-yl]-5,6-bis(4-chlorophenyl)morpholin-3-one
SMILESCCC[C@@H](CN)N1C(=O)COC(c2ccc(Cl)cc2)C1c1ccc(Cl)cc1
InChIInChI=1S/C21H24Cl2N2O2/c1-2-3-18(12-24)25-19(26)13-27-21(15-6-10-17(23)11-7-15)20(25)14-4-8-16(22)9-5-14/h4-11,18,20-21H,2-3,12-13,24H2,1H3/t18-,20?,21?/m0/s1
InChIKeyHVSJWQOMQAUZJJ-PELRDEGISA-N
MW407.34 g/mol
LogP4.76
Rot. Bonds6

About 4-[(2S)-1-aminopentan-2-yl]-5,6-bis(4-chlorophenyl)morpholin-3-one

4-[(2S)-1-aminopentan-2-yl]-5,6-bis(4-chlorophenyl)morpholin-3-one (PubChem CID 90357016) has the molecular formula C21H24Cl2N2O2 and a molecular weight of 407.34 g/mol. Its IUPAC name is 4-[(2S)-1-aminopentan-2-yl]-5,6-bis(4-chlorophenyl)morpholin-3-one.

Molecular Properties

Compound Name4-[(2S)-1-aminopentan-2-yl]-5,6-bis(4-chlorophenyl)morpholin-3-one
PubChem CID90357016
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.34 g/mol
Exact Mass406.12
IUPAC Name4-[(2S)-1-aminopentan-2-yl]-5,6-bis(4-chlorophenyl)morpholin-3-one
SMILESCCC[C@@H](CN)N1C(=O)COC(c2ccc(Cl)cc2)C1c1ccc(Cl)cc1
InChIInChI=1S/C21H24Cl2N2O2/c1-2-3-18(12-24)25-19(26)13-27-21(15-6-10-17(23)11-7-15)20(25)14-4-8-16(22)9-5-14/h4-11,18,20-21H,2-3,12-13,24H2,1H3/t18-,20?,21?/m0/s1
InChIKeyHVSJWQOMQAUZJJ-PELRDEGISA-N
XLogP4.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-aminopentan-2-yl]-5,6-bis(4-chlorophenyl)morpholin-3-one?
The IUPAC name of 4-[(2S)-1-aminopentan-2-yl]-5,6-bis(4-chlorophenyl)morpholin-3-one (CID 90357016) is 4-[(2S)-1-aminopentan-2-yl]-5,6-bis(4-chlorophenyl)morpholin-3-one.
What is the SMILES notation for 4-[(2S)-1-aminopentan-2-yl]-5,6-bis(4-chlorophenyl)morpholin-3-one?
The canonical SMILES for 4-[(2S)-1-aminopentan-2-yl]-5,6-bis(4-chlorophenyl)morpholin-3-one is CCC[C@@H](CN)N1C(=O)COC(c2ccc(Cl)cc2)C1c1ccc(Cl)cc1.
What is the InChIKey of 4-[(2S)-1-aminopentan-2-yl]-5,6-bis(4-chlorophenyl)morpholin-3-one?
The InChIKey is HVSJWQOMQAUZJJ-PELRDEGISA-N. The full InChI is InChI=1S/C21H24Cl2N2O2/c1-2-3-18(12-24)25-19(26)13-27-21(15-6-10-17(23)11-7-15)20(25)14-4-8-16(22)9-5-14/h4-11,18,20-21H,2-3,12-13,24H2,1H3/t18-,20?,21?/m0/s1.
What are the key properties of 4-[(2S)-1-aminopentan-2-yl]-5,6-bis(4-chlorophenyl)morpholin-3-one?
4-[(2S)-1-aminopentan-2-yl]-5,6-bis(4-chlorophenyl)morpholin-3-one has a molecular weight of 407.34 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-aminopentan-2-yl]-5,6-bis(4-chlorophenyl)morpholin-3-one is sourced from PubChem (CID 90357016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).