3,4-dimethyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide

C21H24N2O3 — CID 110286919

IUPAC3,4-dimethyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide
SMILESCc1ccc(C(=O)N[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1C
InChIInChI=1S/C21H24N2O3/c1-15-8-9-18(14-16(15)2)20(24)22-19(17-6-4-3-5-7-17)21(25)23-10-12-26-13-11-23/h3-9,14,19H,10-13H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyUPLNNOLSKKMFQS-IBGZPJMESA-N
MW352.43 g/mol
LogP2.63
Rot. Bonds4

About 3,4-dimethyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide

3,4-dimethyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide (PubChem CID 110286919) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide
PubChem CID110286919
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3,4-dimethyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide
SMILESCc1ccc(C(=O)N[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1C
InChIInChI=1S/C21H24N2O3/c1-15-8-9-18(14-16(15)2)20(24)22-19(17-6-4-3-5-7-17)21(25)23-10-12-26-13-11-23/h3-9,14,19H,10-13H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyUPLNNOLSKKMFQS-IBGZPJMESA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide
CID 110286907
N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 110626186
1-methylsulfonyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 51960249
(2R)-2-(2,5-dimethylanilino)-1-morpholin-4-yl-2-phenylethanone
CID 51924051
ethyl N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]carbamate
CID 110286950
3-fluoro-4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 94817707
N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-2-phenylacetamide
CID 110286922
N-benzhydryl-3,4-dimethylbenzamide
CID 1219840
1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea
CID 110626175
3-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,2-oxazole-4-carboxamide
CID 110626179
4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 110286769
(E)-2-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylprop-2-enamide
CID 110306183

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide (CID 110286919) is 3,4-dimethyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide is Cc1ccc(C(=O)N[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide?
The InChIKey is UPLNNOLSKKMFQS-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-8-9-18(14-16(15)2)20(24)22-19(17-6-4-3-5-7-17)21(25)23-10-12-26-13-11-23/h3-9,14,19H,10-13H2,1-2H3,(H,22,24)/t19-/m0/s1.
What are the key properties of 3,4-dimethyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide?
3,4-dimethyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide has a molecular weight of 352.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide is sourced from PubChem (CID 110286919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).