2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one

C27H38N2O2 — CID 175082055

IUPAC2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one
SMILESCCCC(Cc1ccc(C(C)C)cc1)(C(=O)c1ccccc1N1CCOCC1)N(C)C
InChIInChI=1S/C27H38N2O2/c1-6-15-27(28(4)5,20-22-11-13-23(14-12-22)21(2)3)26(30)24-9-7-8-10-25(24)29-16-18-31-19-17-29/h7-14,21H,6,15-20H2,1-5H3
InChIKeyNJKJCAMWUGJAIT-UHFFFAOYSA-N
MW422.61 g/mol
LogP5.17
Rot. Bonds9

About 2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one

2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one (PubChem CID 175082055) has the molecular formula C27H38N2O2 and a molecular weight of 422.61 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one
PubChem CID175082055
Molecular FormulaC27H38N2O2
Molecular Weight422.61 g/mol
Exact Mass422.29
IUPAC Name2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one
SMILESCCCC(Cc1ccc(C(C)C)cc1)(C(=O)c1ccccc1N1CCOCC1)N(C)C
InChIInChI=1S/C27H38N2O2/c1-6-15-27(28(4)5,20-22-11-13-23(14-12-22)21(2)3)26(30)24-9-7-8-10-25(24)29-16-18-31-19-17-29/h7-14,21H,6,15-20H2,1-5H3
InChIKeyNJKJCAMWUGJAIT-UHFFFAOYSA-N
XLogP5.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.61
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one?
The IUPAC name of 2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one (CID 175082055) is 2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one?
The canonical SMILES for 2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one is CCCC(Cc1ccc(C(C)C)cc1)(C(=O)c1ccccc1N1CCOCC1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one?
The InChIKey is NJKJCAMWUGJAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O2/c1-6-15-27(28(4)5,20-22-11-13-23(14-12-22)21(2)3)26(30)24-9-7-8-10-25(24)29-16-18-31-19-17-29/h7-14,21H,6,15-20H2,1-5H3.
What are the key properties of 2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one?
2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one has a molecular weight of 422.61 g/mol, XLogP of 5.17, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one is sourced from PubChem (CID 175082055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).