[2-[[(2S,3R)-4-[[(4S)-6-ethylspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-2-oxoethyl] N,N-dimethylcarbamate

C28H38N4O5 — CID 154156379

About [2-[[(2S,3R)-4-[[(4S)-6-ethylspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-2-oxoethyl] N,N-dimethylcarbamate

[2-[[(2S,3R)-4-[[(4S)-6-ethylspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-2-oxoethyl] N,N-dimethylcarbamate (PubChem CID 154156379) has the molecular formula C28H38N4O5 and a molecular weight of 510.64 g/mol. Its IUPAC name is [2-[[(2S,3R)-4-[[(4S)-6-ethylspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-2-oxoethyl] N,N-dimethylcarbamate.

Molecular Properties

• Compound Name: [2-[[(2S,3R)-4-[[(4S)-6-ethylspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-2-oxoethyl] N,N-dimethylcarbamate
• PubChem CID: 154156379
• Molecular Formula: C28H38N4O5
• Molecular Weight: 510.64 g/mol
• Exact Mass: 510.28
• IUPAC Name: [2-[[(2S,3R)-4-[[(4S)-6-ethylspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-2-oxoethyl] N,N-dimethylcarbamate
• SMILES: CCc1cnc2c(c1)[C@@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)COC(=O)N(C)C)CC1(CCC1)O2
• InChI: InChI=1S/C28H38N4O5/c1-4-19-13-21-23(15-28(11-8-12-28)37-26(21)30-16-19)29-17-24(33)22(14-20-9-6-5-7-10-20)31-25(34)18-36-27(35)32(2)3/h5-7,9-10,13,16,22-24,29,33H,4,8,11-12,14-15,17-18H2,1-3H3,(H,31,34)/t22-,23-,24+/m0/s1
• InChIKey: MNXQMSYUUFQJKB-KMDXXIMOSA-N
• XLogP: 2.77
• TPSA: 113.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.64
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S,3R)-4-[[(4S)-6-ethylspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-2-oxoethyl] N,N-dimethylcarbamate?

The IUPAC name of [2-[[(2S,3R)-4-[[(4S)-6-ethylspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-2-oxoethyl] N,N-dimethylcarbamate (CID 154156379) is [2-[[(2S,3R)-4-[[(4S)-6-ethylspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-2-oxoethyl] N,N-dimethylcarbamate.

What is the SMILES notation for [2-[[(2S,3R)-4-[[(4S)-6-ethylspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-2-oxoethyl] N,N-dimethylcarbamate?

The canonical SMILES for [2-[[(2S,3R)-4-[[(4S)-6-ethylspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-2-oxoethyl] N,N-dimethylcarbamate is CCc1cnc2c(c1)[C@@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)COC(=O)N(C)C)CC1(CCC1)O2.

What is the InChIKey of [2-[[(2S,3R)-4-[[(4S)-6-ethylspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-2-oxoethyl] N,N-dimethylcarbamate?

The InChIKey is MNXQMSYUUFQJKB-KMDXXIMOSA-N. The full InChI is InChI=1S/C28H38N4O5/c1-4-19-13-21-23(15-28(11-8-12-28)37-26(21)30-16-19)29-17-24(33)22(14-20-9-6-5-7-10-20)31-25(34)18-36-27(35)32(2)3/h5-7,9-10,13,16,22-24,29,33H,4,8,11-12,14-15,17-18H2,1-3H3,(H,31,34)/t22-,23-,24+/m0/s1.

What are the key properties of [2-[[(2S,3R)-4-[[(4S)-6-ethylspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-2-oxoethyl] N,N-dimethylcarbamate?

[2-[[(2S,3R)-4-[[(4S)-6-ethylspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-2-oxoethyl] N,N-dimethylcarbamate has a molecular weight of 510.64 g/mol, XLogP of 2.77, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[(2S,3R)-4-[[(4S)-6-ethylspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-2-oxoethyl] N,N-dimethylcarbamate is sourced from PubChem (CID 154156379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).