benzyl N-[6-[[2-(5-methoxy-2-methylindol-1-yl)acetyl]amino]hexyl]carbamate

C26H33N3O4 — CID 90966502

IUPACbenzyl N-[6-[[2-(5-methoxy-2-methylindol-1-yl)acetyl]amino]hexyl]carbamate
SMILESCOc1ccc2c(c1)cc(C)n2CC(=O)NCCCCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C26H33N3O4/c1-20-16-22-17-23(32-2)12-13-24(22)29(20)18-25(30)27-14-8-3-4-9-15-28-26(31)33-19-21-10-6-5-7-11-21/h5-7,10-13,16-17H,3-4,8-9,14-15,18-19H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyFDYZAYISMPZKBH-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.56
Rot. Bonds12

About benzyl N-[6-[[2-(5-methoxy-2-methylindol-1-yl)acetyl]amino]hexyl]carbamate

benzyl N-[6-[[2-(5-methoxy-2-methylindol-1-yl)acetyl]amino]hexyl]carbamate (PubChem CID 90966502) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is benzyl N-[6-[[2-(5-methoxy-2-methylindol-1-yl)acetyl]amino]hexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[6-[[2-(5-methoxy-2-methylindol-1-yl)acetyl]amino]hexyl]carbamate
PubChem CID90966502
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Namebenzyl N-[6-[[2-(5-methoxy-2-methylindol-1-yl)acetyl]amino]hexyl]carbamate
SMILESCOc1ccc2c(c1)cc(C)n2CC(=O)NCCCCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C26H33N3O4/c1-20-16-22-17-23(32-2)12-13-24(22)29(20)18-25(30)27-14-8-3-4-9-15-28-26(31)33-19-21-10-6-5-7-11-21/h5-7,10-13,16-17H,3-4,8-9,14-15,18-19H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyFDYZAYISMPZKBH-UHFFFAOYSA-N
XLogP4.56
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 26586028
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate
CID 60596184
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885
N-[4-(4-fluorophenoxy)butyl]-2-(2-methylindol-1-yl)acetamide
CID 43060850
4-oxo-4-[5-(phenylmethoxycarbonylamino)pentylamino]butanoic acid
CID 129041037
benzyl 4-(5-methoxy-2-methylindole-1-carbonyl)piperazine-1-carboxylate
CID 71733013
benzyl N-(6-oxoheptyl)carbamate
CID 58434506
benzyl 2,5-dimethyl-1-[2-(phenylmethoxycarbonylamino)ethyl]pyrrole-3-carboxylate
CID 22159343

Frequently Asked Questions

What is the IUPAC name of benzyl N-[6-[[2-(5-methoxy-2-methylindol-1-yl)acetyl]amino]hexyl]carbamate?
The IUPAC name of benzyl N-[6-[[2-(5-methoxy-2-methylindol-1-yl)acetyl]amino]hexyl]carbamate (CID 90966502) is benzyl N-[6-[[2-(5-methoxy-2-methylindol-1-yl)acetyl]amino]hexyl]carbamate.
What is the SMILES notation for benzyl N-[6-[[2-(5-methoxy-2-methylindol-1-yl)acetyl]amino]hexyl]carbamate?
The canonical SMILES for benzyl N-[6-[[2-(5-methoxy-2-methylindol-1-yl)acetyl]amino]hexyl]carbamate is COc1ccc2c(c1)cc(C)n2CC(=O)NCCCCCCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[6-[[2-(5-methoxy-2-methylindol-1-yl)acetyl]amino]hexyl]carbamate?
The InChIKey is FDYZAYISMPZKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-20-16-22-17-23(32-2)12-13-24(22)29(20)18-25(30)27-14-8-3-4-9-15-28-26(31)33-19-21-10-6-5-7-11-21/h5-7,10-13,16-17H,3-4,8-9,14-15,18-19H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of benzyl N-[6-[[2-(5-methoxy-2-methylindol-1-yl)acetyl]amino]hexyl]carbamate?
benzyl N-[6-[[2-(5-methoxy-2-methylindol-1-yl)acetyl]amino]hexyl]carbamate has a molecular weight of 451.57 g/mol, XLogP of 4.56, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[6-[[2-(5-methoxy-2-methylindol-1-yl)acetyl]amino]hexyl]carbamate is sourced from PubChem (CID 90966502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).