(4-acetamidophenyl)methyl 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]carbamate

C35H34N4O7 — CID 171608810

About (4-acetamidophenyl)methyl 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]carbamate

(4-acetamidophenyl)methyl 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]carbamate (PubChem CID 171608810) has the molecular formula C35H34N4O7 and a molecular weight of 622.68 g/mol. Its IUPAC name is (4-acetamidophenyl)methyl 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]carbamate.

Molecular Properties

• Compound Name: (4-acetamidophenyl)methyl 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]carbamate
• PubChem CID: 171608810
• Molecular Formula: C35H34N4O7
• Molecular Weight: 622.68 g/mol
• Exact Mass: 622.24
• IUPAC Name: (4-acetamidophenyl)methyl 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]carbamate
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(C)c(C)c3c1c2[C@@H](NC(=O)OCc1ccc(NC(C)=O)cc1)CC3
• InChI: InChI=1S/C35H34N4O7/c1-5-35(44)25-13-28-31-23(14-39(28)32(41)24(25)16-45-33(35)42)30-26(11-10-22-18(3)17(2)12-27(37-31)29(22)30)38-34(43)46-15-20-6-8-21(9-7-20)36-19(4)40/h6-9,12-13,26,44H,5,10-11,14-16H2,1-4H3,(H,36,40)(H,38,43)/t26-,35-/m0/s1
• InChIKey: CRBJZLRUFFFRPI-CYFIQEHSSA-N
• XLogP: 4.57
• TPSA: 148.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	622.68
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl)methyl 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]carbamate?

The IUPAC name of (4-acetamidophenyl)methyl 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]carbamate (CID 171608810) is (4-acetamidophenyl)methyl 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]carbamate.

What is the SMILES notation for (4-acetamidophenyl)methyl 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]carbamate?

The canonical SMILES for (4-acetamidophenyl)methyl 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]carbamate is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(C)c(C)c3c1c2[C@@H](NC(=O)OCc1ccc(NC(C)=O)cc1)CC3.

What is the InChIKey of (4-acetamidophenyl)methyl 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]carbamate?

The InChIKey is CRBJZLRUFFFRPI-CYFIQEHSSA-N. The full InChI is InChI=1S/C35H34N4O7/c1-5-35(44)25-13-28-31-23(14-39(28)32(41)24(25)16-45-33(35)42)30-26(11-10-22-18(3)17(2)12-27(37-31)29(22)30)38-34(43)46-15-20-6-8-21(9-7-20)36-19(4)40/h6-9,12-13,26,44H,5,10-11,14-16H2,1-4H3,(H,36,40)(H,38,43)/t26-,35-/m0/s1.

What are the key properties of (4-acetamidophenyl)methyl 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]carbamate?

(4-acetamidophenyl)methyl 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]carbamate has a molecular weight of 622.68 g/mol, XLogP of 4.57, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (4-acetamidophenyl)methyl 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]carbamate is sourced from PubChem (CID 171608810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).