N-(2,3-dihydro-1H-inden-5-yl)-4-[(9S)-19-methoxy-4-methyl-8,11-dioxo-9-propan-2-yl-3,17-dioxa-7,10,13,23-tetrazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaen-13-yl]-4-oxobutanamide

C35H43N5O7 — CID 138807261

About N-(2,3-dihydro-1H-inden-5-yl)-4-[(9S)-19-methoxy-4-methyl-8,11-dioxo-9-propan-2-yl-3,17-dioxa-7,10,13,23-tetrazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaen-13-yl]-4-oxobutanamide

N-(2,3-dihydro-1H-inden-5-yl)-4-[(9S)-19-methoxy-4-methyl-8,11-dioxo-9-propan-2-yl-3,17-dioxa-7,10,13,23-tetrazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaen-13-yl]-4-oxobutanamide (PubChem CID 138807261) has the molecular formula C35H43N5O7 and a molecular weight of 645.76 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-4-[(9S)-19-methoxy-4-methyl-8,11-dioxo-9-propan-2-yl-3,17-dioxa-7,10,13,23-tetrazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaen-13-yl]-4-oxobutanamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1H-inden-5-yl)-4-[(9S)-19-methoxy-4-methyl-8,11-dioxo-9-propan-2-yl-3,17-dioxa-7,10,13,23-tetrazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaen-13-yl]-4-oxobutanamide
• PubChem CID: 138807261
• Molecular Formula: C35H43N5O7
• Molecular Weight: 645.76 g/mol
• Exact Mass: 645.32
• IUPAC Name: N-(2,3-dihydro-1H-inden-5-yl)-4-[(9S)-19-methoxy-4-methyl-8,11-dioxo-9-propan-2-yl-3,17-dioxa-7,10,13,23-tetrazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaen-13-yl]-4-oxobutanamide
• SMILES: COc1ccc2cc1OCCCN(C(=O)CCC(=O)Nc1ccc3c(c1)CCC3)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C
• InChI: InChI=1S/C35H43N5O7/c1-21(2)33-34(44)36-19-27-22(3)47-35(38-27)25-10-12-28(45-4)29(18-25)46-16-6-15-40(20-31(42)39-33)32(43)14-13-30(41)37-26-11-9-23-7-5-8-24(23)17-26/h9-12,17-18,21,33H,5-8,13-16,19-20H2,1-4H3,(H,36,44)(H,37,41)(H,39,42)/t33-/m0/s1
• InChIKey: NOPLZLBBCJMFRI-XIFFEERXSA-N
• XLogP: 3.93
• TPSA: 152.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	645.76
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-[(9S)-19-methoxy-4-methyl-8,11-dioxo-9-propan-2-yl-3,17-dioxa-7,10,13,23-tetrazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaen-13-yl]-4-oxobutanamide?

The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-[(9S)-19-methoxy-4-methyl-8,11-dioxo-9-propan-2-yl-3,17-dioxa-7,10,13,23-tetrazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaen-13-yl]-4-oxobutanamide (CID 138807261) is N-(2,3-dihydro-1H-inden-5-yl)-4-[(9S)-19-methoxy-4-methyl-8,11-dioxo-9-propan-2-yl-3,17-dioxa-7,10,13,23-tetrazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaen-13-yl]-4-oxobutanamide.

What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-4-[(9S)-19-methoxy-4-methyl-8,11-dioxo-9-propan-2-yl-3,17-dioxa-7,10,13,23-tetrazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaen-13-yl]-4-oxobutanamide?

The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-4-[(9S)-19-methoxy-4-methyl-8,11-dioxo-9-propan-2-yl-3,17-dioxa-7,10,13,23-tetrazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaen-13-yl]-4-oxobutanamide is COc1ccc2cc1OCCCN(C(=O)CCC(=O)Nc1ccc3c(c1)CCC3)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C.

What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-4-[(9S)-19-methoxy-4-methyl-8,11-dioxo-9-propan-2-yl-3,17-dioxa-7,10,13,23-tetrazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaen-13-yl]-4-oxobutanamide?

The InChIKey is NOPLZLBBCJMFRI-XIFFEERXSA-N. The full InChI is InChI=1S/C35H43N5O7/c1-21(2)33-34(44)36-19-27-22(3)47-35(38-27)25-10-12-28(45-4)29(18-25)46-16-6-15-40(20-31(42)39-33)32(43)14-13-30(41)37-26-11-9-23-7-5-8-24(23)17-26/h9-12,17-18,21,33H,5-8,13-16,19-20H2,1-4H3,(H,36,44)(H,37,41)(H,39,42)/t33-/m0/s1.

What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-4-[(9S)-19-methoxy-4-methyl-8,11-dioxo-9-propan-2-yl-3,17-dioxa-7,10,13,23-tetrazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaen-13-yl]-4-oxobutanamide?

N-(2,3-dihydro-1H-inden-5-yl)-4-[(9S)-19-methoxy-4-methyl-8,11-dioxo-9-propan-2-yl-3,17-dioxa-7,10,13,23-tetrazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaen-13-yl]-4-oxobutanamide has a molecular weight of 645.76 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1H-inden-5-yl)-4-[(9S)-19-methoxy-4-methyl-8,11-dioxo-9-propan-2-yl-3,17-dioxa-7,10,13,23-tetrazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaen-13-yl]-4-oxobutanamide is sourced from PubChem (CID 138807261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).