(2S)-3-methyl-2-[[(2S)-2-methyl-4-phenylbutyl]amino]-1-morpholin-4-ylbutan-1-one

C20H32N2O2 — CID 97077433

IUPAC(2S)-3-methyl-2-[[(2S)-2-methyl-4-phenylbutyl]amino]-1-morpholin-4-ylbutan-1-one
SMILESCC(C)[C@H](NC[C@@H](C)CCc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C20H32N2O2/c1-16(2)19(20(23)22-11-13-24-14-12-22)21-15-17(3)9-10-18-7-5-4-6-8-18/h4-8,16-17,19,21H,9-15H2,1-3H3/t17-,19-/m0/s1
InChIKeyOOYKNZGVWIJEFS-HKUYNNGSSA-N
MW332.49 g/mol
LogP2.73
Rot. Bonds8

About (2S)-3-methyl-2-[[(2S)-2-methyl-4-phenylbutyl]amino]-1-morpholin-4-ylbutan-1-one

(2S)-3-methyl-2-[[(2S)-2-methyl-4-phenylbutyl]amino]-1-morpholin-4-ylbutan-1-one (PubChem CID 97077433) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is (2S)-3-methyl-2-[[(2S)-2-methyl-4-phenylbutyl]amino]-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name(2S)-3-methyl-2-[[(2S)-2-methyl-4-phenylbutyl]amino]-1-morpholin-4-ylbutan-1-one
PubChem CID97077433
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name(2S)-3-methyl-2-[[(2S)-2-methyl-4-phenylbutyl]amino]-1-morpholin-4-ylbutan-1-one
SMILESCC(C)[C@H](NC[C@@H](C)CCc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C20H32N2O2/c1-16(2)19(20(23)22-11-13-24-14-12-22)21-15-17(3)9-10-18-7-5-4-6-8-18/h4-8,16-17,19,21H,9-15H2,1-3H3/t17-,19-/m0/s1
InChIKeyOOYKNZGVWIJEFS-HKUYNNGSSA-N
XLogP2.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-3-methyl-2-[[(2S)-2-methyl-4-phenylbutyl]amino]-1-morpholin-4-ylbutan-1-one with MolForge

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Related Compounds

3-methyl-2-[(2-methyl-4-phenylbutyl)amino]-1-morpholin-4-ylbutan-1-one
CID 71905762
2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one
CID 76792666
(2S)-2-[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one
CID 97334468
2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one
CID 62880416
N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 78777337
1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one
CID 115676486
methyl 2-[(1S)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoate
CID 69434740
(2S)-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid
CID 91162995
[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium
CID 40562536
(2R)-1-morpholin-4-yl-2-phenylmethoxypropan-1-one
CID 165346158
benzyl N-(3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamate
CID 51149564
(2R)-2-[(2-methyl-4-phenylbutyl)amino]-3-phenylpropanoic acid
CID 120511517

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[[(2S)-2-methyl-4-phenylbutyl]amino]-1-morpholin-4-ylbutan-1-one?
The IUPAC name of (2S)-3-methyl-2-[[(2S)-2-methyl-4-phenylbutyl]amino]-1-morpholin-4-ylbutan-1-one (CID 97077433) is (2S)-3-methyl-2-[[(2S)-2-methyl-4-phenylbutyl]amino]-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for (2S)-3-methyl-2-[[(2S)-2-methyl-4-phenylbutyl]amino]-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for (2S)-3-methyl-2-[[(2S)-2-methyl-4-phenylbutyl]amino]-1-morpholin-4-ylbutan-1-one is CC(C)[C@H](NC[C@@H](C)CCc1ccccc1)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-3-methyl-2-[[(2S)-2-methyl-4-phenylbutyl]amino]-1-morpholin-4-ylbutan-1-one?
The InChIKey is OOYKNZGVWIJEFS-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-16(2)19(20(23)22-11-13-24-14-12-22)21-15-17(3)9-10-18-7-5-4-6-8-18/h4-8,16-17,19,21H,9-15H2,1-3H3/t17-,19-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[[(2S)-2-methyl-4-phenylbutyl]amino]-1-morpholin-4-ylbutan-1-one?
(2S)-3-methyl-2-[[(2S)-2-methyl-4-phenylbutyl]amino]-1-morpholin-4-ylbutan-1-one has a molecular weight of 332.49 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[[(2S)-2-methyl-4-phenylbutyl]amino]-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 97077433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).