(2R)-4-benzyl-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylmorpholine-2-carboxamide

C21H29N3O2S — CID 97059704

IUPAC(2R)-4-benzyl-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylmorpholine-2-carboxamide
SMILESCCc1nc(C)c([C@@H](C)N(C)C(=O)[C@H]2CN(Cc3ccccc3)CCO2)s1
InChIInChI=1S/C21H29N3O2S/c1-5-19-22-15(2)20(27-19)16(3)23(4)21(25)18-14-24(11-12-26-18)13-17-9-7-6-8-10-17/h6-10,16,18H,5,11-14H2,1-4H3/t16-,18-/m1/s1
InChIKeyRMZRQKQAOJSBQB-SJLPKXTDSA-N
MW387.55 g/mol
LogP3.43
Rot. Bonds6

About (2R)-4-benzyl-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylmorpholine-2-carboxamide

(2R)-4-benzyl-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylmorpholine-2-carboxamide (PubChem CID 97059704) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is (2R)-4-benzyl-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-benzyl-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylmorpholine-2-carboxamide
PubChem CID97059704
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC Name(2R)-4-benzyl-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylmorpholine-2-carboxamide
SMILESCCc1nc(C)c([C@@H](C)N(C)C(=O)[C@H]2CN(Cc3ccccc3)CCO2)s1
InChIInChI=1S/C21H29N3O2S/c1-5-19-22-15(2)20(27-19)16(3)23(4)21(25)18-14-24(11-12-26-18)13-17-9-7-6-8-10-17/h6-10,16,18H,5,11-14H2,1-4H3/t16-,18-/m1/s1
InChIKeyRMZRQKQAOJSBQB-SJLPKXTDSA-N
XLogP3.43
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid
CID 119359267
2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
CID 124589089
4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide
CID 161414096
4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide
CID 111596452
(2S)-4-benzyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide
CID 97008441
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 124588180
N-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine
CID 124748373
4-benzyl-N-[(3-methyl-4-pentylphenyl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
CID 71190653
N-(1-aminopropan-2-yl)-2-(4-benzylmorpholin-2-yl)-N-methylacetamide
CID 119582704
N-(1-benzofuran-2-ylmethyl)-4-benzyl-N-phenylmorpholine-2-carboxamide
CID 42793624
4-benzyl-N-(1,1-dioxothiolan-3-yl)-N-ethylmorpholine-2-carboxamide
CID 136527534

Frequently Asked Questions

What is the IUPAC name of (2R)-4-benzyl-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylmorpholine-2-carboxamide?
The IUPAC name of (2R)-4-benzyl-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylmorpholine-2-carboxamide (CID 97059704) is (2R)-4-benzyl-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-benzyl-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-4-benzyl-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylmorpholine-2-carboxamide is CCc1nc(C)c([C@@H](C)N(C)C(=O)[C@H]2CN(Cc3ccccc3)CCO2)s1.
What is the InChIKey of (2R)-4-benzyl-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylmorpholine-2-carboxamide?
The InChIKey is RMZRQKQAOJSBQB-SJLPKXTDSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-5-19-22-15(2)20(27-19)16(3)23(4)21(25)18-14-24(11-12-26-18)13-17-9-7-6-8-10-17/h6-10,16,18H,5,11-14H2,1-4H3/t16-,18-/m1/s1.
What are the key properties of (2R)-4-benzyl-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylmorpholine-2-carboxamide?
(2R)-4-benzyl-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylmorpholine-2-carboxamide has a molecular weight of 387.55 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-benzyl-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 97059704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).