3-[2-(ethylcarbamoylamino)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide

C16H22N4O3 — CID 118071542

IUPAC3-[2-(ethylcarbamoylamino)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide
SMILESCCNC(=O)NCCc1c(C(=O)NC)[nH]c2ccc(OC)cc12
InChIInChI=1S/C16H22N4O3/c1-4-18-16(22)19-8-7-11-12-9-10(23-3)5-6-13(12)20-14(11)15(21)17-2/h5-6,9,20H,4,7-8H2,1-3H3,(H,17,21)(H2,18,19,22)
InChIKeySCEASVRWLSIFRR-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.40
Rot. Bonds6

About 3-[2-(ethylcarbamoylamino)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide

3-[2-(ethylcarbamoylamino)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide (PubChem CID 118071542) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-[2-(ethylcarbamoylamino)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-[2-(ethylcarbamoylamino)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide
PubChem CID118071542
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name3-[2-(ethylcarbamoylamino)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide
SMILESCCNC(=O)NCCc1c(C(=O)NC)[nH]c2ccc(OC)cc12
InChIInChI=1S/C16H22N4O3/c1-4-18-16(22)19-8-7-11-12-9-10(23-3)5-6-13(12)20-14(11)15(21)17-2/h5-6,9,20H,4,7-8H2,1-3H3,(H,17,21)(H2,18,19,22)
InChIKeySCEASVRWLSIFRR-UHFFFAOYSA-N
XLogP1.40
TPSA95.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(2-hydroxyethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 14020208
tert-butyl N-[2-[2-(ethylcarbamoyl)-5-methoxy-1H-indol-3-yl]ethyl]carbamate
CID 118248881
N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 15382326
N-[2-[2-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 15382330
methyl N-[2-[2-[C-[3,5-bis(trifluoromethyl)phenyl]-N-ethylcarbonimidoyl]-5-methoxy-1H-indol-3-yl]ethyl]carbamate
CID 155545459
N-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide
CID 68726769
3-[(2-ethylbutanoylamino)methyl]-5-methoxy-1H-indole-2-carboxylic acid
CID 94949022
2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086116
2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine
CID 84741788
1-ethyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea
CID 23360900
2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086126
N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113086137

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylcarbamoylamino)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 3-[2-(ethylcarbamoylamino)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide (CID 118071542) is 3-[2-(ethylcarbamoylamino)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 3-[2-(ethylcarbamoylamino)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 3-[2-(ethylcarbamoylamino)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide is CCNC(=O)NCCc1c(C(=O)NC)[nH]c2ccc(OC)cc12.
What is the InChIKey of 3-[2-(ethylcarbamoylamino)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide?
The InChIKey is SCEASVRWLSIFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-4-18-16(22)19-8-7-11-12-9-10(23-3)5-6-13(12)20-14(11)15(21)17-2/h5-6,9,20H,4,7-8H2,1-3H3,(H,17,21)(H2,18,19,22).
What are the key properties of 3-[2-(ethylcarbamoylamino)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide?
3-[2-(ethylcarbamoylamino)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 1.40, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylcarbamoylamino)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 118071542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).