tert-butyl N-[2-[(5,26-dimethyl-23-oxo-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-16-yl)oxy]ethyl]carbamate

C30H37N7O5 — CID 167098376

About tert-butyl N-[2-[(5,26-dimethyl-23-oxo-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-16-yl)oxy]ethyl]carbamate

tert-butyl N-[2-[(5,26-dimethyl-23-oxo-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-16-yl)oxy]ethyl]carbamate (PubChem CID 167098376) has the molecular formula C30H37N7O5 and a molecular weight of 575.67 g/mol. Its IUPAC name is tert-butyl N-[2-[(5,26-dimethyl-23-oxo-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-16-yl)oxy]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[(5,26-dimethyl-23-oxo-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-16-yl)oxy]ethyl]carbamate
• PubChem CID: 167098376
• Molecular Formula: C30H37N7O5
• Molecular Weight: 575.67 g/mol
• Exact Mass: 575.29
• IUPAC Name: tert-butyl N-[2-[(5,26-dimethyl-23-oxo-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-16-yl)oxy]ethyl]carbamate
• SMILES: Cc1cc2cc(n1)-c1cnn(C)c1OCCCCCn1c(nc3ccc(OCCNC(=O)OC(C)(C)C)cc31)NC2=O
• InChI: InChI=1S/C30H37N7O5/c1-19-15-20-16-24(33-19)22-18-32-36(5)27(22)41-13-8-6-7-12-37-25-17-21(9-10-23(25)34-28(37)35-26(20)38)40-14-11-31-29(39)42-30(2,3)4/h9-10,15-18H,6-8,11-14H2,1-5H3,(H,31,39)(H,34,35,38)
• InChIKey: ULWVEIANVFZUSH-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 134.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.67
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5,26-dimethyl-23-oxo-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-16-yl)oxy]ethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[(5,26-dimethyl-23-oxo-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-16-yl)oxy]ethyl]carbamate (CID 167098376) is tert-butyl N-[2-[(5,26-dimethyl-23-oxo-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-16-yl)oxy]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[(5,26-dimethyl-23-oxo-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-16-yl)oxy]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[(5,26-dimethyl-23-oxo-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-16-yl)oxy]ethyl]carbamate is Cc1cc2cc(n1)-c1cnn(C)c1OCCCCCn1c(nc3ccc(OCCNC(=O)OC(C)(C)C)cc31)NC2=O.

What is the InChIKey of tert-butyl N-[2-[(5,26-dimethyl-23-oxo-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-16-yl)oxy]ethyl]carbamate?

The InChIKey is ULWVEIANVFZUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N7O5/c1-19-15-20-16-24(33-19)22-18-32-36(5)27(22)41-13-8-6-7-12-37-25-17-21(9-10-23(25)34-28(37)35-26(20)38)40-14-11-31-29(39)42-30(2,3)4/h9-10,15-18H,6-8,11-14H2,1-5H3,(H,31,39)(H,34,35,38).

What are the key properties of tert-butyl N-[2-[(5,26-dimethyl-23-oxo-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-16-yl)oxy]ethyl]carbamate?

tert-butyl N-[2-[(5,26-dimethyl-23-oxo-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-16-yl)oxy]ethyl]carbamate has a molecular weight of 575.67 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[(5,26-dimethyl-23-oxo-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14(19),15,17,20,24(28),25-nonaen-16-yl)oxy]ethyl]carbamate is sourced from PubChem (CID 167098376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).