N-[(10S)-18-chloro-10-ethyl-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-hydroxycyclopropane-1-carboxamide

C28H26ClN3O6 — CID 171574500

About N-[(10S)-18-chloro-10-ethyl-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-hydroxycyclopropane-1-carboxamide

N-[(10S)-18-chloro-10-ethyl-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-hydroxycyclopropane-1-carboxamide (PubChem CID 171574500) has the molecular formula C28H26ClN3O6 and a molecular weight of 535.98 g/mol. Its IUPAC name is N-[(10S)-18-chloro-10-ethyl-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-hydroxycyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[(10S)-18-chloro-10-ethyl-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-hydroxycyclopropane-1-carboxamide
• PubChem CID: 171574500
• Molecular Formula: C28H26ClN3O6
• Molecular Weight: 535.98 g/mol
• Exact Mass: 535.15
• IUPAC Name: N-[(10S)-18-chloro-10-ethyl-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-hydroxycyclopropane-1-carboxamide
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(Cl)c(C)c3c1c2C(NC(=O)C1(O)CC1)CC3
• InChI: InChI=1S/C28H26ClN3O6/c1-3-28(37)16-8-20-23-14(10-32(20)24(33)15(16)11-38-26(28)35)22-18(31-25(34)27(36)6-7-27)5-4-13-12(2)17(29)9-19(30-23)21(13)22/h8-9,18,36-37H,3-7,10-11H2,1-2H3,(H,31,34)/t18?,28-/m0/s1
• InChIKey: FONOGTDYSOMRIG-QGRUVSRESA-N
• XLogP: 2.67
• TPSA: 130.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.98
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(10S)-18-chloro-10-ethyl-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-hydroxycyclopropane-1-carboxamide?

The IUPAC name of N-[(10S)-18-chloro-10-ethyl-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-hydroxycyclopropane-1-carboxamide (CID 171574500) is N-[(10S)-18-chloro-10-ethyl-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-hydroxycyclopropane-1-carboxamide.

What is the SMILES notation for N-[(10S)-18-chloro-10-ethyl-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-hydroxycyclopropane-1-carboxamide?

The canonical SMILES for N-[(10S)-18-chloro-10-ethyl-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-hydroxycyclopropane-1-carboxamide is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(Cl)c(C)c3c1c2C(NC(=O)C1(O)CC1)CC3.

What is the InChIKey of N-[(10S)-18-chloro-10-ethyl-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-hydroxycyclopropane-1-carboxamide?

The InChIKey is FONOGTDYSOMRIG-QGRUVSRESA-N. The full InChI is InChI=1S/C28H26ClN3O6/c1-3-28(37)16-8-20-23-14(10-32(20)24(33)15(16)11-38-26(28)35)22-18(31-25(34)27(36)6-7-27)5-4-13-12(2)17(29)9-19(30-23)21(13)22/h8-9,18,36-37H,3-7,10-11H2,1-2H3,(H,31,34)/t18?,28-/m0/s1.

What are the key properties of N-[(10S)-18-chloro-10-ethyl-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-hydroxycyclopropane-1-carboxamide?

N-[(10S)-18-chloro-10-ethyl-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-hydroxycyclopropane-1-carboxamide has a molecular weight of 535.98 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(10S)-18-chloro-10-ethyl-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-1-hydroxycyclopropane-1-carboxamide is sourced from PubChem (CID 171574500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).