(2S,3R)-N-[1-(2-methylpropyl)cyclopropyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide

C21H30N2O3 — CID 134697708

IUPAC(2S,3R)-N-[1-(2-methylpropyl)cyclopropyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
SMILESCC(C)CC1(NC(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C21H30N2O3/c1-14(2)12-21(10-11-21)22-20(25)19-18(16-8-6-5-7-9-16)23(15(3)4)17(24)13-26-19/h5-9,14-15,18-19H,10-13H2,1-4H3,(H,22,25)/t18-,19+/m1/s1
InChIKeyRCFRPOKBGHIRBL-MOPGFXCFSA-N
MW358.48 g/mol
LogP3.06
Rot. Bonds6

About (2S,3R)-N-[1-(2-methylpropyl)cyclopropyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide

(2S,3R)-N-[1-(2-methylpropyl)cyclopropyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide (PubChem CID 134697708) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is (2S,3R)-N-[1-(2-methylpropyl)cyclopropyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[1-(2-methylpropyl)cyclopropyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
PubChem CID134697708
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name(2S,3R)-N-[1-(2-methylpropyl)cyclopropyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
SMILESCC(C)CC1(NC(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C21H30N2O3/c1-14(2)12-21(10-11-21)22-20(25)19-18(16-8-6-5-7-9-16)23(15(3)4)17(24)13-26-19/h5-9,14-15,18-19H,10-13H2,1-4H3,(H,22,25)/t18-,19+/m1/s1
InChIKeyRCFRPOKBGHIRBL-MOPGFXCFSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[1-(2-methylpropyl)cyclopropyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-[1-(2-methylpropyl)cyclopropyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide (CID 134697708) is (2S,3R)-N-[1-(2-methylpropyl)cyclopropyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-[1-(2-methylpropyl)cyclopropyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-[1-(2-methylpropyl)cyclopropyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide is CC(C)CC1(NC(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)CC1.
What is the InChIKey of (2S,3R)-N-[1-(2-methylpropyl)cyclopropyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
The InChIKey is RCFRPOKBGHIRBL-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-14(2)12-21(10-11-21)22-20(25)19-18(16-8-6-5-7-9-16)23(15(3)4)17(24)13-26-19/h5-9,14-15,18-19H,10-13H2,1-4H3,(H,22,25)/t18-,19+/m1/s1.
What are the key properties of (2S,3R)-N-[1-(2-methylpropyl)cyclopropyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
(2S,3R)-N-[1-(2-methylpropyl)cyclopropyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[1-(2-methylpropyl)cyclopropyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide is sourced from PubChem (CID 134697708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).