(2S,6S)-N-[5-(dimethylcarbamoyl)-2-methylphenyl]-2-methyl-6-phenylmorpholine-4-carboxamide

C22H27N3O3 — CID 95193687

IUPAC(2S,6S)-N-[5-(dimethylcarbamoyl)-2-methylphenyl]-2-methyl-6-phenylmorpholine-4-carboxamide
SMILESCc1ccc(C(=O)N(C)C)cc1NC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C22H27N3O3/c1-15-10-11-18(21(26)24(3)4)12-19(15)23-22(27)25-13-16(2)28-20(14-25)17-8-6-5-7-9-17/h5-12,16,20H,13-14H2,1-4H3,(H,23,27)/t16-,20+/m0/s1
InChIKeyGGNLJFUBRKRBNR-OXJNMPFZSA-N
MW381.48 g/mol
LogP3.69
Rot. Bonds3

About (2S,6S)-N-[5-(dimethylcarbamoyl)-2-methylphenyl]-2-methyl-6-phenylmorpholine-4-carboxamide

(2S,6S)-N-[5-(dimethylcarbamoyl)-2-methylphenyl]-2-methyl-6-phenylmorpholine-4-carboxamide (PubChem CID 95193687) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2S,6S)-N-[5-(dimethylcarbamoyl)-2-methylphenyl]-2-methyl-6-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6S)-N-[5-(dimethylcarbamoyl)-2-methylphenyl]-2-methyl-6-phenylmorpholine-4-carboxamide
PubChem CID95193687
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(2S,6S)-N-[5-(dimethylcarbamoyl)-2-methylphenyl]-2-methyl-6-phenylmorpholine-4-carboxamide
SMILESCc1ccc(C(=O)N(C)C)cc1NC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C22H27N3O3/c1-15-10-11-18(21(26)24(3)4)12-19(15)23-22(27)25-13-16(2)28-20(14-25)17-8-6-5-7-9-17/h5-12,16,20H,13-14H2,1-4H3,(H,23,27)/t16-,20+/m0/s1
InChIKeyGGNLJFUBRKRBNR-OXJNMPFZSA-N
XLogP3.69
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-N-[5-(dimethylcarbamoyl)-2-methylphenyl]-2-methyl-6-phenylmorpholine-4-carboxamide?
The IUPAC name of (2S,6S)-N-[5-(dimethylcarbamoyl)-2-methylphenyl]-2-methyl-6-phenylmorpholine-4-carboxamide (CID 95193687) is (2S,6S)-N-[5-(dimethylcarbamoyl)-2-methylphenyl]-2-methyl-6-phenylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,6S)-N-[5-(dimethylcarbamoyl)-2-methylphenyl]-2-methyl-6-phenylmorpholine-4-carboxamide?
The canonical SMILES for (2S,6S)-N-[5-(dimethylcarbamoyl)-2-methylphenyl]-2-methyl-6-phenylmorpholine-4-carboxamide is Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1.
What is the InChIKey of (2S,6S)-N-[5-(dimethylcarbamoyl)-2-methylphenyl]-2-methyl-6-phenylmorpholine-4-carboxamide?
The InChIKey is GGNLJFUBRKRBNR-OXJNMPFZSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15-10-11-18(21(26)24(3)4)12-19(15)23-22(27)25-13-16(2)28-20(14-25)17-8-6-5-7-9-17/h5-12,16,20H,13-14H2,1-4H3,(H,23,27)/t16-,20+/m0/s1.
What are the key properties of (2S,6S)-N-[5-(dimethylcarbamoyl)-2-methylphenyl]-2-methyl-6-phenylmorpholine-4-carboxamide?
(2S,6S)-N-[5-(dimethylcarbamoyl)-2-methylphenyl]-2-methyl-6-phenylmorpholine-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-N-[5-(dimethylcarbamoyl)-2-methylphenyl]-2-methyl-6-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 95193687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).