tert-butyl N-[2-[methyl-[2-[3-[2-[[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethyl]amino]ethyl]carbamate;cyclopropanecarbaldehyde

C35H47N5O5S — CID 170705220

About tert-butyl N-[2-[methyl-[2-[3-[2-[[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethyl]amino]ethyl]carbamate;cyclopropanecarbaldehyde

tert-butyl N-[2-[methyl-[2-[3-[2-[[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethyl]amino]ethyl]carbamate;cyclopropanecarbaldehyde (PubChem CID 170705220) has the molecular formula C35H47N5O5S and a molecular weight of 649.86 g/mol. Its IUPAC name is tert-butyl N-[2-[methyl-[2-[3-[2-[[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethyl]amino]ethyl]carbamate;cyclopropanecarbaldehyde.

Molecular Properties

• Compound Name: tert-butyl N-[2-[methyl-[2-[3-[2-[[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethyl]amino]ethyl]carbamate;cyclopropanecarbaldehyde
• PubChem CID: 170705220
• Molecular Formula: C35H47N5O5S
• Molecular Weight: 649.86 g/mol
• Exact Mass: 649.33
• IUPAC Name: tert-butyl N-[2-[methyl-[2-[3-[2-[[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethyl]amino]ethyl]carbamate;cyclopropanecarbaldehyde
• SMILES: Cc1sc(NC(=O)Cc2cccc(OCCN(C)CCNC(=O)OC(C)(C)C)c2)nc1-c1ccc2c(c1)CCN2C.O=CC1CC1
• InChI: InChI=1S/C31H41N5O4S.C4H6O/c1-21-28(24-10-11-26-23(20-24)12-14-36(26)6)34-29(41-21)33-27(37)19-22-8-7-9-25(18-22)39-17-16-35(5)15-13-32-30(38)40-31(2,3)4;5-3-4-1-2-4/h7-11,18,20H,12-17,19H2,1-6H3,(H,32,38)(H,33,34,37);3-4H,1-2H2
• InChIKey: PZRHSAJYYCCDMU-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 113.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.86
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[methyl-[2-[3-[2-[[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethyl]amino]ethyl]carbamate;cyclopropanecarbaldehyde?

The IUPAC name of tert-butyl N-[2-[methyl-[2-[3-[2-[[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethyl]amino]ethyl]carbamate;cyclopropanecarbaldehyde (CID 170705220) is tert-butyl N-[2-[methyl-[2-[3-[2-[[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethyl]amino]ethyl]carbamate;cyclopropanecarbaldehyde.

What is the SMILES notation for tert-butyl N-[2-[methyl-[2-[3-[2-[[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethyl]amino]ethyl]carbamate;cyclopropanecarbaldehyde?

The canonical SMILES for tert-butyl N-[2-[methyl-[2-[3-[2-[[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethyl]amino]ethyl]carbamate;cyclopropanecarbaldehyde is Cc1sc(NC(=O)Cc2cccc(OCCN(C)CCNC(=O)OC(C)(C)C)c2)nc1-c1ccc2c(c1)CCN2C.O=CC1CC1.

What is the InChIKey of tert-butyl N-[2-[methyl-[2-[3-[2-[[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethyl]amino]ethyl]carbamate;cyclopropanecarbaldehyde?

The InChIKey is PZRHSAJYYCCDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N5O4S.C4H6O/c1-21-28(24-10-11-26-23(20-24)12-14-36(26)6)34-29(41-21)33-27(37)19-22-8-7-9-25(18-22)39-17-16-35(5)15-13-32-30(38)40-31(2,3)4;5-3-4-1-2-4/h7-11,18,20H,12-17,19H2,1-6H3,(H,32,38)(H,33,34,37);3-4H,1-2H2.

What are the key properties of tert-butyl N-[2-[methyl-[2-[3-[2-[[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethyl]amino]ethyl]carbamate;cyclopropanecarbaldehyde?

tert-butyl N-[2-[methyl-[2-[3-[2-[[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethyl]amino]ethyl]carbamate;cyclopropanecarbaldehyde has a molecular weight of 649.86 g/mol, XLogP of 5.72, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[methyl-[2-[3-[2-[[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethyl]amino]ethyl]carbamate;cyclopropanecarbaldehyde is sourced from PubChem (CID 170705220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).