2-amino-2-methyl-N-[(2R)-1-[(5S)-2-methyl-1-oxo-3-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide

C29H38N4O4 — CID 90010435

About 2-amino-2-methyl-N-[(2R)-1-[(5S)-2-methyl-1-oxo-3-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide

2-amino-2-methyl-N-[(2R)-1-[(5S)-2-methyl-1-oxo-3-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide (PubChem CID 90010435) has the molecular formula C29H38N4O4 and a molecular weight of 506.65 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(2R)-1-[(5S)-2-methyl-1-oxo-3-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide.

Molecular Properties

• Compound Name: 2-amino-2-methyl-N-[(2R)-1-[(5S)-2-methyl-1-oxo-3-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
• PubChem CID: 90010435
• Molecular Formula: C29H38N4O4
• Molecular Weight: 506.65 g/mol
• Exact Mass: 506.29
• IUPAC Name: 2-amino-2-methyl-N-[(2R)-1-[(5S)-2-methyl-1-oxo-3-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
• SMILES: CN1C(=O)[C@@]2(CCCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C2)CC1c1ccccc1
• InChI: InChI=1S/C29H38N4O4/c1-28(2,30)26(35)31-23(19-37-18-21-11-6-4-7-12-21)25(34)33-16-10-15-29(20-33)17-24(32(3)27(29)36)22-13-8-5-9-14-22/h4-9,11-14,23-24H,10,15-20,30H2,1-3H3,(H,31,35)/t23-,24?,29+/m1/s1
• InChIKey: WFNGYZCDDPKHNI-ANFCFGEPSA-N
• XLogP: 2.64
• TPSA: 104.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.65
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(2R)-1-[(5S)-2-methyl-1-oxo-3-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide?

The IUPAC name of 2-amino-2-methyl-N-[(2R)-1-[(5S)-2-methyl-1-oxo-3-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide (CID 90010435) is 2-amino-2-methyl-N-[(2R)-1-[(5S)-2-methyl-1-oxo-3-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide.

What is the SMILES notation for 2-amino-2-methyl-N-[(2R)-1-[(5S)-2-methyl-1-oxo-3-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide?

The canonical SMILES for 2-amino-2-methyl-N-[(2R)-1-[(5S)-2-methyl-1-oxo-3-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide is CN1C(=O)[C@@]2(CCCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C2)CC1c1ccccc1.

What is the InChIKey of 2-amino-2-methyl-N-[(2R)-1-[(5S)-2-methyl-1-oxo-3-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide?

The InChIKey is WFNGYZCDDPKHNI-ANFCFGEPSA-N. The full InChI is InChI=1S/C29H38N4O4/c1-28(2,30)26(35)31-23(19-37-18-21-11-6-4-7-12-21)25(34)33-16-10-15-29(20-33)17-24(32(3)27(29)36)22-13-8-5-9-14-22/h4-9,11-14,23-24H,10,15-20,30H2,1-3H3,(H,31,35)/t23-,24?,29+/m1/s1.

What are the key properties of 2-amino-2-methyl-N-[(2R)-1-[(5S)-2-methyl-1-oxo-3-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide?

2-amino-2-methyl-N-[(2R)-1-[(5S)-2-methyl-1-oxo-3-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide has a molecular weight of 506.65 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-methyl-N-[(2R)-1-[(5S)-2-methyl-1-oxo-3-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide is sourced from PubChem (CID 90010435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).