tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate

About tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate

tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate (PubChem CID 158971904) has the molecular formula C75H86N8O12 and a molecular weight of 1291.56 g/mol. Its IUPAC name is tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate.

Molecular Properties

Compound Name	tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate
PubChem CID	158971904
Molecular Formula	C75H86N8O12
Molecular Weight	1291.56 g/mol
Exact Mass	1290.64
IUPAC Name	tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate
SMILES	CC(C)CC(c1c[nH]c2ccccc12)N(O)C(=O)OC(C)(C)C.COc1ccc2c(C(CNC(=O)OC(C)(C)C)N(O)Cc3ccccc3)c[nH]c2c1.O=C(CONC(=O)OCC1c2ccccc2-c2ccccc21)NC(COCc1ccccc1)c1c[nH]c2ccccc12
InChI	InChI=1S/C34H31N3O5.C23H29N3O4.C18H26N2O3/c38-33(22-42-37-34(39)41-20-30-26-14-6-4-12-24(26)25-13-5-7-15-27(25)30)36-32(21-40-19-23-10-2-1-3-11-23)29-18-35-31-17-9-8-16-28(29)31;1-23(2,3)30-22(27)25-14-21(26(28)15-16-8-6-5-7-9-16)19-13-24-20-12-17(29-4)10-11-18(19)20;1-12(2)10-16(20(22)17(21)23-18(3,4)5)14-11-19-15-9-7-6-8-13(14)15/h1-18,30,32,35H,19-22H2,(H,36,38)(H,37,39);5-13,21,24,28H,14-15H2,1-4H3,(H,25,27);6-9,11-12,16,19,22H,10H2,1-5H3
InChIKey	JNXQBUDLEMBVOF-UHFFFAOYSA-N
XLogP	15.53
TPSA	254.06 Å²
H-Bond Donors	8
H-Bond Acceptors	13
Rotatable Bonds	22
Heavy Atoms	95
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1291.56
LogP ≤ 5	15.53
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate?

The IUPAC name of tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate (CID 158971904) is tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate.

What is the SMILES notation for tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate?

The canonical SMILES for tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate is CC(C)CC(c1c[nH]c2ccccc12)N(O)C(=O)OC(C)(C)C.COc1ccc2c(C(CNC(=O)OC(C)(C)C)N(O)Cc3ccccc3)c[nH]c2c1.O=C(CONC(=O)OCC1c2ccccc2-c2ccccc21)NC(COCc1ccccc1)c1c[nH]c2ccccc12.

What is the InChIKey of tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate?

The InChIKey is JNXQBUDLEMBVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N3O5.C23H29N3O4.C18H26N2O3/c38-33(22-42-37-34(39)41-20-30-26-14-6-4-12-24(26)25-13-5-7-15-27(25)30)36-32(21-40-19-23-10-2-1-3-11-23)29-18-35-31-17-9-8-16-28(29)31;1-23(2,3)30-22(27)25-14-21(26(28)15-16-8-6-5-7-9-16)19-13-24-20-12-17(29-4)10-11-18(19)20;1-12(2)10-16(20(22)17(21)23-18(3,4)5)14-11-19-15-9-7-6-8-13(14)15/h1-18,30,32,35H,19-22H2,(H,36,38)(H,37,39);5-13,21,24,28H,14-15H2,1-4H3,(H,25,27);6-9,11-12,16,19,22H,10H2,1-5H3.

What are the key properties of tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate?

Where does this data come from?

All data for tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate is sourced from PubChem (CID 158971904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).