5-[2-(2,3-dihydroindol-1-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide

C21H26N4O3 — CID 74248773

IUPAC5-[2-(2,3-dihydroindol-1-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(NC(=O)NCCN2CCc3ccccc32)cc1C(=O)N(C)C
InChIInChI=1S/C21H26N4O3/c1-24(2)20(26)17-14-16(8-9-19(17)28-3)23-21(27)22-11-13-25-12-10-15-6-4-5-7-18(15)25/h4-9,14H,10-13H2,1-3H3,(H2,22,23,27)
InChIKeyASNOMYXLUCOPLD-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.58
Rot. Bonds6

About 5-[2-(2,3-dihydroindol-1-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide

5-[2-(2,3-dihydroindol-1-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide (PubChem CID 74248773) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 5-[2-(2,3-dihydroindol-1-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name5-[2-(2,3-dihydroindol-1-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide
PubChem CID74248773
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name5-[2-(2,3-dihydroindol-1-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(NC(=O)NCCN2CCc3ccccc32)cc1C(=O)N(C)C
InChIInChI=1S/C21H26N4O3/c1-24(2)20(26)17-14-16(8-9-19(17)28-3)23-21(27)22-11-13-25-12-10-15-6-4-5-7-18(15)25/h4-9,14H,10-13H2,1-3H3,(H2,22,23,27)
InChIKeyASNOMYXLUCOPLD-UHFFFAOYSA-N
XLogP2.58
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]phenyl]carbamate
CID 71893155
1-[2-(2,3-dihydroindol-1-yl)ethyl]-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)urea
CID 72901459
2-methoxy-N,N-dimethyl-5-(methylcarbamoylamino)benzamide
CID 74241829
1-[2-(2,3-dihydroindol-1-yl)ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea
CID 138025268
5-[2-(4,6-dimethylpyrimidin-2-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide
CID 72871754
1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-phenylurea
CID 10171756
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 28635305
N-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
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1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-ethoxy-3-methylphenyl)urea
CID 86847003
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 30206139
1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 23607928
2-(2,3-dihydroindol-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-dihydroindol-1-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 5-[2-(2,3-dihydroindol-1-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide (CID 74248773) is 5-[2-(2,3-dihydroindol-1-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 5-[2-(2,3-dihydroindol-1-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 5-[2-(2,3-dihydroindol-1-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide is COc1ccc(NC(=O)NCCN2CCc3ccccc32)cc1C(=O)N(C)C.
What is the InChIKey of 5-[2-(2,3-dihydroindol-1-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide?
The InChIKey is ASNOMYXLUCOPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-24(2)20(26)17-14-16(8-9-19(17)28-3)23-21(27)22-11-13-25-12-10-15-6-4-5-7-18(15)25/h4-9,14H,10-13H2,1-3H3,(H2,22,23,27).
What are the key properties of 5-[2-(2,3-dihydroindol-1-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide?
5-[2-(2,3-dihydroindol-1-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide has a molecular weight of 382.46 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-dihydroindol-1-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 74248773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).