(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylbutanamide

C22H28N2O2 — CID 51925060

IUPAC(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)N(C)Cc1ccccc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-3-20(18-9-5-4-6-10-18)22(25)23(2)17-19-11-7-8-12-21(19)24-13-15-26-16-14-24/h4-12,20H,3,13-17H2,1-2H3/t20-/m1/s1
InChIKeyVLGSBGKKNXNZTL-HXUWFJFHSA-N
MW352.48 g/mol
LogP3.68
Rot. Bonds6

About (2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylbutanamide

(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylbutanamide (PubChem CID 51925060) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylbutanamide
PubChem CID51925060
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)N(C)Cc1ccccc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-3-20(18-9-5-4-6-10-18)22(25)23(2)17-19-11-7-8-12-21(19)24-13-15-26-16-14-24/h4-12,20H,3,13-17H2,1-2H3/t20-/m1/s1
InChIKeyVLGSBGKKNXNZTL-HXUWFJFHSA-N
XLogP3.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119836433
N,2-dimethyl-3-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]propanamide;dihydrochloride
CID 119836461
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
(2S)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-phenylpropanamide
CID 26381814
(2R)-N-(3,5-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-phenylacetamide
CID 25334129
N,2,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 78852655
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]furan-2-carboxamide
CID 38723309
1-hydroxy-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907045
(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51925066
N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 55416261
2-(2-ethylbenzimidazol-1-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 46976087

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylbutanamide (CID 51925060) is (2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylbutanamide is CC[C@@H](C(=O)N(C)Cc1ccccc1N1CCOCC1)c1ccccc1.
What is the InChIKey of (2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylbutanamide?
The InChIKey is VLGSBGKKNXNZTL-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-3-20(18-9-5-4-6-10-18)22(25)23(2)17-19-11-7-8-12-21(19)24-13-15-26-16-14-24/h4-12,20H,3,13-17H2,1-2H3/t20-/m1/s1.
What are the key properties of (2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylbutanamide?
(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylbutanamide has a molecular weight of 352.48 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylbutanamide is sourced from PubChem (CID 51925060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).