5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-3-methylindole-2-carboxamide

C24H29ClN2O3 — CID 110497706

IUPAC5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-3-methylindole-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2c(C)c3cc(Cl)ccc3n2CC)cc1OCC
InChIInChI=1S/C24H29ClN2O3/c1-5-27-20-10-9-18(25)15-19(20)16(4)23(27)24(28)26-13-12-17-8-11-21(29-6-2)22(14-17)30-7-3/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,26,28)
InChIKeyDDOLVQAWYSPDHQ-UHFFFAOYSA-N
MW428.96 g/mol
LogP5.39
Rot. Bonds9

About 5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-3-methylindole-2-carboxamide

5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-3-methylindole-2-carboxamide (PubChem CID 110497706) has the molecular formula C24H29ClN2O3 and a molecular weight of 428.96 g/mol. Its IUPAC name is 5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-3-methylindole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-3-methylindole-2-carboxamide
PubChem CID110497706
Molecular FormulaC24H29ClN2O3
Molecular Weight428.96 g/mol
Exact Mass428.19
IUPAC Name5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-3-methylindole-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2c(C)c3cc(Cl)ccc3n2CC)cc1OCC
InChIInChI=1S/C24H29ClN2O3/c1-5-27-20-10-9-18(25)15-19(20)16(4)23(27)24(28)26-13-12-17-8-11-21(29-6-2)22(14-17)30-7-3/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,26,28)
InChIKeyDDOLVQAWYSPDHQ-UHFFFAOYSA-N
XLogP5.39
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.96
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110497715
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110497737
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954
5-chloro-N-[4-(diethylamino)butyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110497733
5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 110497698
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 16574764
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
5-chloro-N-(3-chloro-4-methylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502138
2-[(5-chloro-1-ethyl-3-methylindole-2-carbonyl)amino]pentanoic acid
CID 110497722
5-chloro-1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
CID 110502197
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
CID 7818885

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-3-methylindole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-3-methylindole-2-carboxamide (CID 110497706) is 5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-3-methylindole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-3-methylindole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-3-methylindole-2-carboxamide is CCOc1ccc(CCNC(=O)c2c(C)c3cc(Cl)ccc3n2CC)cc1OCC.
What is the InChIKey of 5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-3-methylindole-2-carboxamide?
The InChIKey is DDOLVQAWYSPDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O3/c1-5-27-20-10-9-18(25)15-19(20)16(4)23(27)24(28)26-13-12-17-8-11-21(29-6-2)22(14-17)30-7-3/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,26,28).
What are the key properties of 5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-3-methylindole-2-carboxamide?
5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-3-methylindole-2-carboxamide has a molecular weight of 428.96 g/mol, XLogP of 5.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-3-methylindole-2-carboxamide is sourced from PubChem (CID 110497706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).