2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]-2-phenylpropanamide

C24H31N3O3 — CID 73212590

IUPAC2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]-2-phenylpropanamide
SMILESCC(C)(C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31N3O3/c1-24(2,20-11-7-4-8-12-20)23(29)26-21(19-9-5-3-6-10-19)22(28)25-13-14-27-15-17-30-18-16-27/h3-12,21H,13-18H2,1-2H3,(H,25,28)(H,26,29)/t21-/m0/s1
InChIKeyHHSYGHQHRUXBPT-NRFANRHFSA-N
MW409.53 g/mol
LogP2.27
Rot. Bonds8

About 2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]-2-phenylpropanamide

2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]-2-phenylpropanamide (PubChem CID 73212590) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]-2-phenylpropanamide
PubChem CID73212590
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]-2-phenylpropanamide
SMILESCC(C)(C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31N3O3/c1-24(2,20-11-7-4-8-12-20)23(29)26-21(19-9-5-3-6-10-19)22(28)25-13-14-27-15-17-30-18-16-27/h3-12,21H,13-18H2,1-2H3,(H,25,28)(H,26,29)/t21-/m0/s1
InChIKeyHHSYGHQHRUXBPT-NRFANRHFSA-N
XLogP2.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]-2-phenylpropanamide?
The IUPAC name of 2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]-2-phenylpropanamide (CID 73212590) is 2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]-2-phenylpropanamide.
What is the SMILES notation for 2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]-2-phenylpropanamide?
The canonical SMILES for 2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]-2-phenylpropanamide is CC(C)(C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]-2-phenylpropanamide?
The InChIKey is HHSYGHQHRUXBPT-NRFANRHFSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-24(2,20-11-7-4-8-12-20)23(29)26-21(19-9-5-3-6-10-19)22(28)25-13-14-27-15-17-30-18-16-27/h3-12,21H,13-18H2,1-2H3,(H,25,28)(H,26,29)/t21-/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]-2-phenylpropanamide?
2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]-2-phenylpropanamide has a molecular weight of 409.53 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]-2-phenylpropanamide is sourced from PubChem (CID 73212590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).