(2R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide

C29H34N2O4 — CID 97007244

About (2R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide

(2R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 97007244) has the molecular formula C29H34N2O4 and a molecular weight of 474.60 g/mol. Its IUPAC name is (2R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

• Compound Name: (2R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
• PubChem CID: 97007244
• Molecular Formula: C29H34N2O4
• Molecular Weight: 474.60 g/mol
• Exact Mass: 474.25
• IUPAC Name: (2R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
• SMILES: COc1ccc2cc([C@@H](C)C(=O)N(CC(=O)Nc3cccc(C)c3C)C[C@H]3CCCO3)ccc2c1
• InChI: InChI=1S/C29H34N2O4/c1-19-7-5-9-27(20(19)2)30-28(32)18-31(17-26-8-6-14-35-26)29(33)21(3)22-10-11-24-16-25(34-4)13-12-23(24)15-22/h5,7,9-13,15-16,21,26H,6,8,14,17-18H2,1-4H3,(H,30,32)/t21-,26-/m1/s1
• InChIKey: AZSSQRLAPPPNCS-QFQXNSOFSA-N
• XLogP: 5.22
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.60
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?

The IUPAC name of (2R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 97007244) is (2R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

What is the SMILES notation for (2R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?

The canonical SMILES for (2R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide is COc1ccc2cc([C@@H](C)C(=O)N(CC(=O)Nc3cccc(C)c3C)C[C@H]3CCCO3)ccc2c1.

What is the InChIKey of (2R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?

The InChIKey is AZSSQRLAPPPNCS-QFQXNSOFSA-N. The full InChI is InChI=1S/C29H34N2O4/c1-19-7-5-9-27(20(19)2)30-28(32)18-31(17-26-8-6-14-35-26)29(33)21(3)22-10-11-24-16-25(34-4)13-12-23(24)15-22/h5,7,9-13,15-16,21,26H,6,8,14,17-18H2,1-4H3,(H,30,32)/t21-,26-/m1/s1.

What are the key properties of (2R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?

(2R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 474.60 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 97007244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).