N-[(10S,23S)-10-ethyl-10-hydroxy-18,19-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaen-23-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide

C30H31N3O6 — CID 170213945

About N-[(10S,23S)-10-ethyl-10-hydroxy-18,19-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaen-23-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide

N-[(10S,23S)-10-ethyl-10-hydroxy-18,19-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaen-23-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide (PubChem CID 170213945) has the molecular formula C30H31N3O6 and a molecular weight of 529.59 g/mol. Its IUPAC name is N-[(10S,23S)-10-ethyl-10-hydroxy-18,19-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaen-23-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[(10S,23S)-10-ethyl-10-hydroxy-18,19-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaen-23-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
• PubChem CID: 170213945
• Molecular Formula: C30H31N3O6
• Molecular Weight: 529.59 g/mol
• Exact Mass: 529.22
• IUPAC Name: N-[(10S,23S)-10-ethyl-10-hydroxy-18,19-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaen-23-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(C)c(C)c3c1c2[C@@H](NC(=O)C1(CO)CC1)CC3
• InChI: InChI=1S/C30H31N3O6/c1-4-30(38)19-10-22-25-17(11-33(22)26(35)18(19)12-39-28(30)37)24-20(32-27(36)29(13-34)7-8-29)6-5-16-15(3)14(2)9-21(31-25)23(16)24/h9-10,20,34,38H,4-8,11-13H2,1-3H3,(H,32,36)/t20-,30-/m0/s1
• InChIKey: MIIMUOFHHWBDPD-WRGVRERRSA-N
• XLogP: 2.57
• TPSA: 130.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.59
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(10S,23S)-10-ethyl-10-hydroxy-18,19-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaen-23-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?

The IUPAC name of N-[(10S,23S)-10-ethyl-10-hydroxy-18,19-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaen-23-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide (CID 170213945) is N-[(10S,23S)-10-ethyl-10-hydroxy-18,19-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaen-23-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide.

What is the SMILES notation for N-[(10S,23S)-10-ethyl-10-hydroxy-18,19-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaen-23-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?

The canonical SMILES for N-[(10S,23S)-10-ethyl-10-hydroxy-18,19-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaen-23-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(C)c(C)c3c1c2[C@@H](NC(=O)C1(CO)CC1)CC3.

What is the InChIKey of N-[(10S,23S)-10-ethyl-10-hydroxy-18,19-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaen-23-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?

The InChIKey is MIIMUOFHHWBDPD-WRGVRERRSA-N. The full InChI is InChI=1S/C30H31N3O6/c1-4-30(38)19-10-22-25-17(11-33(22)26(35)18(19)12-39-28(30)37)24-20(32-27(36)29(13-34)7-8-29)6-5-16-15(3)14(2)9-21(31-25)23(16)24/h9-10,20,34,38H,4-8,11-13H2,1-3H3,(H,32,36)/t20-,30-/m0/s1.

What are the key properties of N-[(10S,23S)-10-ethyl-10-hydroxy-18,19-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaen-23-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?

N-[(10S,23S)-10-ethyl-10-hydroxy-18,19-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaen-23-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide has a molecular weight of 529.59 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(10S,23S)-10-ethyl-10-hydroxy-18,19-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaen-23-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 170213945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).