(2S)-N-(2-benzoylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide

C22H26N2O3 — CID 27132550

IUPAC(2S)-N-(2-benzoylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
SMILESC[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)C[C@@H](C)O1
InChIInChI=1S/C22H26N2O3/c1-15-13-24(14-16(2)27-15)17(3)22(26)23-20-12-8-7-11-19(20)21(25)18-9-5-4-6-10-18/h4-12,15-17H,13-14H2,1-3H3,(H,23,26)/t15-,16-,17+/m1/s1
InChIKeyKWKHLQKNCHKQSP-ZACQAIPSSA-N
MW366.46 g/mol
LogP3.35
Rot. Bonds5

About (2S)-N-(2-benzoylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide

(2S)-N-(2-benzoylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide (PubChem CID 27132550) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (2S)-N-(2-benzoylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-benzoylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
PubChem CID27132550
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(2S)-N-(2-benzoylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
SMILESC[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)C[C@@H](C)O1
InChIInChI=1S/C22H26N2O3/c1-15-13-24(14-16(2)27-15)17(3)22(26)23-20-12-8-7-11-19(20)21(25)18-9-5-4-6-10-18/h4-12,15-17H,13-14H2,1-3H3,(H,23,26)/t15-,16-,17+/m1/s1
InChIKeyKWKHLQKNCHKQSP-ZACQAIPSSA-N
XLogP3.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzoylphenyl)-2-morpholin-4-ylpropanamide
CID 17461516
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-ethoxyphenyl)propanamide
CID 9249079
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 46630775
(2S)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 8900075
(2R)-N-[2-(4-methylbenzoyl)phenyl]-2-morpholin-4-ylpropanamide
CID 97426909
N-(4-acetamidophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47005800
(2S)-N-(2,4-difluorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 9249053
N-(4-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16778867
N-(2,4-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 3893745
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzamide
CID 42888700
N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16778971
(2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 9249033

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-benzoylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
The IUPAC name of (2S)-N-(2-benzoylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide (CID 27132550) is (2S)-N-(2-benzoylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide.
What is the SMILES notation for (2S)-N-(2-benzoylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
The canonical SMILES for (2S)-N-(2-benzoylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide is C[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)C[C@@H](C)O1.
What is the InChIKey of (2S)-N-(2-benzoylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
The InChIKey is KWKHLQKNCHKQSP-ZACQAIPSSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-13-24(14-16(2)27-15)17(3)22(26)23-20-12-8-7-11-19(20)21(25)18-9-5-4-6-10-18/h4-12,15-17H,13-14H2,1-3H3,(H,23,26)/t15-,16-,17+/m1/s1.
What are the key properties of (2S)-N-(2-benzoylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
(2S)-N-(2-benzoylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide has a molecular weight of 366.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-benzoylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide is sourced from PubChem (CID 27132550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).