(1-acetylindol-3-yl) N,N-diethylcarbamate

C15H18N2O3 — CID 101433399

IUPAC(1-acetylindol-3-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cn(C(C)=O)c2ccccc12
InChIInChI=1S/C15H18N2O3/c1-4-16(5-2)15(19)20-14-10-17(11(3)18)13-9-7-6-8-12(13)14/h6-10H,4-5H2,1-3H3
InChIKeyFHPLHZQRELVPRY-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.14
Rot. Bonds3

About (1-acetylindol-3-yl) N,N-diethylcarbamate

(1-acetylindol-3-yl) N,N-diethylcarbamate (PubChem CID 101433399) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (1-acetylindol-3-yl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(1-acetylindol-3-yl) N,N-diethylcarbamate
PubChem CID101433399
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(1-acetylindol-3-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cn(C(C)=O)c2ccccc12
InChIInChI=1S/C15H18N2O3/c1-4-16(5-2)15(19)20-14-10-17(11(3)18)13-9-7-6-8-12(13)14/h6-10H,4-5H2,1-3H3
InChIKeyFHPLHZQRELVPRY-UHFFFAOYSA-N
XLogP3.14
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N,N-diethylindole-3-carboxamide
CID 113207891
9H-carbazol-4-yl N,N-diethylcarbamate
CID 165357789
1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 24819149
1-acetyl-N-[3-(dimethylamino)propyl]indole-3-carboxamide
CID 113207837
1-acetyl-N-pentylindole-3-carboxamide
CID 113207899
(2,3-dihydroxyphenyl) N,N-diethylcarbamate
CID 131845695
1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide
CID 113207832
(2-acetyl-3-chlorophenyl) N,N-diethylcarbamate
CID 10945491
1-[3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-1-yl]ethanone
CID 154018567
1-acetyl-N-[4-(diethylamino)-2-methylphenyl]indole-3-carboxamide
CID 113208003
methyl (3S)-3-(1-acetylindol-3-yl)-3-aminopropanoate;hydrochloride
CID 171244338
1-carbazol-9-ylethanone;ethane
CID 142183368

Frequently Asked Questions

What is the IUPAC name of (1-acetylindol-3-yl) N,N-diethylcarbamate?
The IUPAC name of (1-acetylindol-3-yl) N,N-diethylcarbamate (CID 101433399) is (1-acetylindol-3-yl) N,N-diethylcarbamate.
What is the SMILES notation for (1-acetylindol-3-yl) N,N-diethylcarbamate?
The canonical SMILES for (1-acetylindol-3-yl) N,N-diethylcarbamate is CCN(CC)C(=O)Oc1cn(C(C)=O)c2ccccc12.
What is the InChIKey of (1-acetylindol-3-yl) N,N-diethylcarbamate?
The InChIKey is FHPLHZQRELVPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-16(5-2)15(19)20-14-10-17(11(3)18)13-9-7-6-8-12(13)14/h6-10H,4-5H2,1-3H3.
What are the key properties of (1-acetylindol-3-yl) N,N-diethylcarbamate?
(1-acetylindol-3-yl) N,N-diethylcarbamate has a molecular weight of 274.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylindol-3-yl) N,N-diethylcarbamate is sourced from PubChem (CID 101433399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).