(1-methylindol-4-yl) N-butyl-N-methylcarbamate

C15H20N2O2 — CID 71536003

IUPAC(1-methylindol-4-yl) N-butyl-N-methylcarbamate
SMILESCCCCN(C)C(=O)Oc1cccc2c1ccn2C
InChIInChI=1S/C15H20N2O2/c1-4-5-10-17(3)15(18)19-14-8-6-7-13-12(14)9-11-16(13)2/h6-9,11H,4-5,10H2,1-3H3
InChIKeyYIVAYKGLGOEVHF-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.41
Rot. Bonds4

About (1-methylindol-4-yl) N-butyl-N-methylcarbamate

(1-methylindol-4-yl) N-butyl-N-methylcarbamate (PubChem CID 71536003) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (1-methylindol-4-yl) N-butyl-N-methylcarbamate.

Molecular Properties

Compound Name(1-methylindol-4-yl) N-butyl-N-methylcarbamate
PubChem CID71536003
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(1-methylindol-4-yl) N-butyl-N-methylcarbamate
SMILESCCCCN(C)C(=O)Oc1cccc2c1ccn2C
InChIInChI=1S/C15H20N2O2/c1-4-5-10-17(3)15(18)19-14-8-6-7-13-12(14)9-11-16(13)2/h6-9,11H,4-5,10H2,1-3H3
InChIKeyYIVAYKGLGOEVHF-UHFFFAOYSA-N
XLogP3.41
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-butyl-N-methylcarbamate
CID 564973
(3-formyl-1-methylindol-4-yl) N-ethyl-N-methylcarbamate
CID 71536274
trimethyl-[2-[methyl-[10-[methyl-[2-(trimethylazaniumyl)phenoxy]carbonylamino]decyl]carbamoyl]oxyphenyl]azanium
CID 6604189
N-butyl-2,3-dimethoxy-N-methylbenzamide
CID 78796146
N-(2-ethoxyphenyl)-1-methylindole-4-carboxamide
CID 112522704
1-heptyl-4-methoxyindole
CID 83174164
trimethyl-[2-[methyl-[10-[methyl-[2-(trimethylazaniumyl)phenoxy]carbonylamino]decyl]carbamoyl]oxyphenyl]azanium dibromide
CID 45105092
N-benzyl-N'-butyl-N'-methylpropanediamide
CID 108945252
methyl N-hexyl-N-methylcarbamate
CID 14923771
N',N'-dibutylpropane-1,3-diamine;1-methyl-N-prop-1-en-2-ylindole-3-carboxamide
CID 142816775
1-methyl-4-propylindole
CID 59939717
N-(6-chloro-3-pyridinyl)-2-(1-methylindol-4-yl)oxyacetamide
CID 91822344

Frequently Asked Questions

What is the IUPAC name of (1-methylindol-4-yl) N-butyl-N-methylcarbamate?
The IUPAC name of (1-methylindol-4-yl) N-butyl-N-methylcarbamate (CID 71536003) is (1-methylindol-4-yl) N-butyl-N-methylcarbamate.
What is the SMILES notation for (1-methylindol-4-yl) N-butyl-N-methylcarbamate?
The canonical SMILES for (1-methylindol-4-yl) N-butyl-N-methylcarbamate is CCCCN(C)C(=O)Oc1cccc2c1ccn2C.
What is the InChIKey of (1-methylindol-4-yl) N-butyl-N-methylcarbamate?
The InChIKey is YIVAYKGLGOEVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-5-10-17(3)15(18)19-14-8-6-7-13-12(14)9-11-16(13)2/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of (1-methylindol-4-yl) N-butyl-N-methylcarbamate?
(1-methylindol-4-yl) N-butyl-N-methylcarbamate has a molecular weight of 260.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-4-yl) N-butyl-N-methylcarbamate is sourced from PubChem (CID 71536003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).