benzyl N-[1-(1H-indol-3-yl)pentyl]carbamate

C21H24N2O2 — CID 71745840

IUPACbenzyl N-[1-(1H-indol-3-yl)pentyl]carbamate
SMILESCCCCC(NC(=O)OCc1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H24N2O2/c1-2-3-12-20(18-14-22-19-13-8-7-11-17(18)19)23-21(24)25-15-16-9-5-4-6-10-16/h4-11,13-14,20,22H,2-3,12,15H2,1H3,(H,23,24)
InChIKeyPXGMLFVXZAOXHG-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.33
Rot. Bonds7

About benzyl N-[1-(1H-indol-3-yl)pentyl]carbamate

benzyl N-[1-(1H-indol-3-yl)pentyl]carbamate (PubChem CID 71745840) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is benzyl N-[1-(1H-indol-3-yl)pentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(1H-indol-3-yl)pentyl]carbamate
PubChem CID71745840
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Namebenzyl N-[1-(1H-indol-3-yl)pentyl]carbamate
SMILESCCCCC(NC(=O)OCc1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H24N2O2/c1-2-3-12-20(18-14-22-19-13-8-7-11-17(18)19)23-21(24)25-15-16-9-5-4-6-10-16/h4-11,13-14,20,22H,2-3,12,15H2,1H3,(H,23,24)
InChIKeyPXGMLFVXZAOXHG-UHFFFAOYSA-N
XLogP5.33
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate
CID 71746013
(3R)-3-(1H-indol-3-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 34177615
benzyl N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxohexan-2-yl]carbamate
CID 178135953
butyl N-[1-(1H-indol-3-yl)-3-oxopentyl]carbamate
CID 154324690
benzyl N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]carbamate
CID 71745835
2-O-benzyl 1-O,1-O-diethyl (2R)-2-(1H-indol-3-yl)ethane-1,1,2-tricarboxylate
CID 11582604
benzyl N-[furan-3-yl(1H-indol-3-yl)methyl]carbamate
CID 71745838
(2R)-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]hexanoic acid
CID 90326409
benzyl N-(1-phenylbutyl)carbamate
CID 101400436
benzyl N-[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 21074407
benzyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formic acid
CID 171634662
benzyl N-[1-amino-3-(1H-indol-3-yl)-1,3-dioxopropan-2-yl]carbamate
CID 5086534

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(1H-indol-3-yl)pentyl]carbamate?
The IUPAC name of benzyl N-[1-(1H-indol-3-yl)pentyl]carbamate (CID 71745840) is benzyl N-[1-(1H-indol-3-yl)pentyl]carbamate.
What is the SMILES notation for benzyl N-[1-(1H-indol-3-yl)pentyl]carbamate?
The canonical SMILES for benzyl N-[1-(1H-indol-3-yl)pentyl]carbamate is CCCCC(NC(=O)OCc1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of benzyl N-[1-(1H-indol-3-yl)pentyl]carbamate?
The InChIKey is PXGMLFVXZAOXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-3-12-20(18-14-22-19-13-8-7-11-17(18)19)23-21(24)25-15-16-9-5-4-6-10-16/h4-11,13-14,20,22H,2-3,12,15H2,1H3,(H,23,24).
What are the key properties of benzyl N-[1-(1H-indol-3-yl)pentyl]carbamate?
benzyl N-[1-(1H-indol-3-yl)pentyl]carbamate has a molecular weight of 336.44 g/mol, XLogP of 5.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(1H-indol-3-yl)pentyl]carbamate is sourced from PubChem (CID 71745840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).