(3S)-4-acetyl-N-[(2R)-1-naphthalen-2-ylpropan-2-yl]morpholine-3-carboxamide

C20H24N2O3 — CID 97250004

IUPAC(3S)-4-acetyl-N-[(2R)-1-naphthalen-2-ylpropan-2-yl]morpholine-3-carboxamide
SMILESCC(=O)N1CCOC[C@H]1C(=O)N[C@H](C)Cc1ccc2ccccc2c1
InChIInChI=1S/C20H24N2O3/c1-14(11-16-7-8-17-5-3-4-6-18(17)12-16)21-20(24)19-13-25-10-9-22(19)15(2)23/h3-8,12,14,19H,9-11,13H2,1-2H3,(H,21,24)/t14-,19+/m1/s1
InChIKeyGFPOWBSFEFWRTN-KUHUBIRLSA-N
MW340.42 g/mol
LogP2.13
Rot. Bonds4

About (3S)-4-acetyl-N-[(2R)-1-naphthalen-2-ylpropan-2-yl]morpholine-3-carboxamide

(3S)-4-acetyl-N-[(2R)-1-naphthalen-2-ylpropan-2-yl]morpholine-3-carboxamide (PubChem CID 97250004) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (3S)-4-acetyl-N-[(2R)-1-naphthalen-2-ylpropan-2-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-4-acetyl-N-[(2R)-1-naphthalen-2-ylpropan-2-yl]morpholine-3-carboxamide
PubChem CID97250004
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(3S)-4-acetyl-N-[(2R)-1-naphthalen-2-ylpropan-2-yl]morpholine-3-carboxamide
SMILESCC(=O)N1CCOC[C@H]1C(=O)N[C@H](C)Cc1ccc2ccccc2c1
InChIInChI=1S/C20H24N2O3/c1-14(11-16-7-8-17-5-3-4-6-18(17)12-16)21-20(24)19-13-25-10-9-22(19)15(2)23/h3-8,12,14,19H,9-11,13H2,1-2H3,(H,21,24)/t14-,19+/m1/s1
InChIKeyGFPOWBSFEFWRTN-KUHUBIRLSA-N
XLogP2.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-acetyl-N-[(2R)-1-naphthalen-2-ylpropan-2-yl]morpholine-3-carboxamide?
The IUPAC name of (3S)-4-acetyl-N-[(2R)-1-naphthalen-2-ylpropan-2-yl]morpholine-3-carboxamide (CID 97250004) is (3S)-4-acetyl-N-[(2R)-1-naphthalen-2-ylpropan-2-yl]morpholine-3-carboxamide.
What is the SMILES notation for (3S)-4-acetyl-N-[(2R)-1-naphthalen-2-ylpropan-2-yl]morpholine-3-carboxamide?
The canonical SMILES for (3S)-4-acetyl-N-[(2R)-1-naphthalen-2-ylpropan-2-yl]morpholine-3-carboxamide is CC(=O)N1CCOC[C@H]1C(=O)N[C@H](C)Cc1ccc2ccccc2c1.
What is the InChIKey of (3S)-4-acetyl-N-[(2R)-1-naphthalen-2-ylpropan-2-yl]morpholine-3-carboxamide?
The InChIKey is GFPOWBSFEFWRTN-KUHUBIRLSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14(11-16-7-8-17-5-3-4-6-18(17)12-16)21-20(24)19-13-25-10-9-22(19)15(2)23/h3-8,12,14,19H,9-11,13H2,1-2H3,(H,21,24)/t14-,19+/m1/s1.
What are the key properties of (3S)-4-acetyl-N-[(2R)-1-naphthalen-2-ylpropan-2-yl]morpholine-3-carboxamide?
(3S)-4-acetyl-N-[(2R)-1-naphthalen-2-ylpropan-2-yl]morpholine-3-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-acetyl-N-[(2R)-1-naphthalen-2-ylpropan-2-yl]morpholine-3-carboxamide is sourced from PubChem (CID 97250004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).