1,1-diethyl-3-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-dimethylgermyl]methyl]urea

C30H38GeN4O5 — CID 25260928

About 1,1-diethyl-3-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-dimethylgermyl]methyl]urea

1,1-diethyl-3-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-dimethylgermyl]methyl]urea (PubChem CID 25260928) has the molecular formula C30H38GeN4O5 and a molecular weight of 607.27 g/mol. Its IUPAC name is 1,1-diethyl-3-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-dimethylgermyl]methyl]urea.

Molecular Properties

• Compound Name: 1,1-diethyl-3-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-dimethylgermyl]methyl]urea
• PubChem CID: 25260928
• Molecular Formula: C30H38GeN4O5
• Molecular Weight: 607.27 g/mol
• Exact Mass: 608.21
• IUPAC Name: 1,1-diethyl-3-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-dimethylgermyl]methyl]urea
• SMILES: CCN(CC)C(=O)NC[Ge](C)(C)CCc1c2c(nc3ccccc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC
• InChI: InChI=1S/C30H38GeN4O5/c1-6-30(39)23-15-25-26-21(16-35(25)27(36)22(23)17-40-28(30)37)19(20-11-9-10-12-24(20)33-26)13-14-31(4,5)18-32-29(38)34(7-2)8-3/h9-12,15,39H,6-8,13-14,16-18H2,1-5H3,(H,32,38)/t30-/m0/s1
• InChIKey: CGNSJHKYGBQCRL-PMERELPUSA-N
• XLogP: 3.92
• TPSA: 113.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.27
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-dimethylgermyl]methyl]urea?

The IUPAC name of 1,1-diethyl-3-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-dimethylgermyl]methyl]urea (CID 25260928) is 1,1-diethyl-3-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-dimethylgermyl]methyl]urea.

What is the SMILES notation for 1,1-diethyl-3-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-dimethylgermyl]methyl]urea?

The canonical SMILES for 1,1-diethyl-3-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-dimethylgermyl]methyl]urea is CCN(CC)C(=O)NC[Ge](C)(C)CCc1c2c(nc3ccccc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.

What is the InChIKey of 1,1-diethyl-3-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-dimethylgermyl]methyl]urea?

The InChIKey is CGNSJHKYGBQCRL-PMERELPUSA-N. The full InChI is InChI=1S/C30H38GeN4O5/c1-6-30(39)23-15-25-26-21(16-35(25)27(36)22(23)17-40-28(30)37)19(20-11-9-10-12-24(20)33-26)13-14-31(4,5)18-32-29(38)34(7-2)8-3/h9-12,15,39H,6-8,13-14,16-18H2,1-5H3,(H,32,38)/t30-/m0/s1.

What are the key properties of 1,1-diethyl-3-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-dimethylgermyl]methyl]urea?

1,1-diethyl-3-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-dimethylgermyl]methyl]urea has a molecular weight of 607.27 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-diethyl-3-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-dimethylgermyl]methyl]urea is sourced from PubChem (CID 25260928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).