(2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide

C20H27N3O2 — CID 119852161

About (2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide (PubChem CID 119852161) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide.

Molecular Properties

• Compound Name: (2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
• PubChem CID: 119852161
• Molecular Formula: C20H27N3O2
• Molecular Weight: 341.46 g/mol
• Exact Mass: 341.21
• IUPAC Name: (2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
• SMILES: CC(NC(=O)[C@@H](N)C(C)(C)C)c1cccc(OCc2ccccn2)c1
• InChI: InChI=1S/C20H27N3O2/c1-14(23-19(24)18(21)20(2,3)4)15-8-7-10-17(12-15)25-13-16-9-5-6-11-22-16/h5-12,14,18H,13,21H2,1-4H3,(H,23,24)/t14?,18-/m1/s1
• InChIKey: FVICENMTYKZJFC-XPKAQORNSA-N
• XLogP: 3.21
• TPSA: 77.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.46
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide?

The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide (CID 119852161) is (2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide.

What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide?

The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide is CC(NC(=O)[C@@H](N)C(C)(C)C)c1cccc(OCc2ccccn2)c1.

What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide?

The InChIKey is FVICENMTYKZJFC-XPKAQORNSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(23-19(24)18(21)20(2,3)4)15-8-7-10-17(12-15)25-13-16-9-5-6-11-22-16/h5-12,14,18H,13,21H2,1-4H3,(H,23,24)/t14?,18-/m1/s1.

What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide?

(2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide has a molecular weight of 341.46 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide is sourced from PubChem (CID 119852161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).