3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylbutanamide

C23H28N2O3 — CID 110306164

IUPAC3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylbutanamide
SMILESCC(C)(CC(=O)N[C@H](C(=O)N1CCOCC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28N2O3/c1-23(2,19-11-7-4-8-12-19)17-20(26)24-21(18-9-5-3-6-10-18)22(27)25-13-15-28-16-14-25/h3-12,21H,13-17H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyGROSEPCCGAJOHZ-NRFANRHFSA-N
MW380.49 g/mol
LogP3.07
Rot. Bonds6

About 3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylbutanamide

3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylbutanamide (PubChem CID 110306164) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylbutanamide.

Molecular Properties

Compound Name3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylbutanamide
PubChem CID110306164
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylbutanamide
SMILESCC(C)(CC(=O)N[C@H](C(=O)N1CCOCC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28N2O3/c1-23(2,19-11-7-4-8-12-19)17-20(26)24-21(18-9-5-3-6-10-18)22(27)25-13-15-28-16-14-25/h3-12,21H,13-17H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyGROSEPCCGAJOHZ-NRFANRHFSA-N
XLogP3.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-2-phenylacetamide
CID 110286922
1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea
CID 110626175
ethyl N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]carbamate
CID 110286950
N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-2-naphthalen-1-ylacetamide
CID 51960254
2-(3,4-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]acetamide
CID 110286938
2-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide
CID 110286907
4-(4-fluorophenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-4-oxobutanamide
CID 110306181
1-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(2-morpholin-4-yl-2-oxoethyl)urea
CID 124616800
(E)-2-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylprop-2-enamide
CID 110306183
5-(4-fluorophenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]pentanamide
CID 110306179
(2S)-1-morpholin-4-yl-2-[[(1S)-1-(oxan-4-yl)ethyl]amino]-2-phenylethanone
CID 97227101
3,4-dimethyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide
CID 110286919

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylbutanamide?
The IUPAC name of 3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylbutanamide (CID 110306164) is 3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylbutanamide.
What is the SMILES notation for 3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylbutanamide?
The canonical SMILES for 3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylbutanamide is CC(C)(CC(=O)N[C@H](C(=O)N1CCOCC1)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylbutanamide?
The InChIKey is GROSEPCCGAJOHZ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-23(2,19-11-7-4-8-12-19)17-20(26)24-21(18-9-5-3-6-10-18)22(27)25-13-15-28-16-14-25/h3-12,21H,13-17H2,1-2H3,(H,24,26)/t21-/m0/s1.
What are the key properties of 3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylbutanamide?
3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylbutanamide has a molecular weight of 380.49 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylbutanamide is sourced from PubChem (CID 110306164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).