1-ethyl-5-[(4-methylbenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide

C25H30N4O3 — CID 83288364

IUPAC1-ethyl-5-[(4-methylbenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
SMILESCCn1c(C(=O)NCCN2CCOCC2)cc2cc(NC(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C25H30N4O3/c1-3-29-22-9-8-21(27-24(30)19-6-4-18(2)5-7-19)16-20(22)17-23(29)25(31)26-10-11-28-12-14-32-15-13-28/h4-9,16-17H,3,10-15H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyJZGYFHJSZLZQKC-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.28
Rot. Bonds7

About 1-ethyl-5-[(4-methylbenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide

1-ethyl-5-[(4-methylbenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide (PubChem CID 83288364) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-ethyl-5-[(4-methylbenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-[(4-methylbenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
PubChem CID83288364
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name1-ethyl-5-[(4-methylbenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
SMILESCCn1c(C(=O)NCCN2CCOCC2)cc2cc(NC(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C25H30N4O3/c1-3-29-22-9-8-21(27-24(30)19-6-4-18(2)5-7-19)16-20(22)17-23(29)25(31)26-10-11-28-12-14-32-15-13-28/h4-9,16-17H,3,10-15H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyJZGYFHJSZLZQKC-UHFFFAOYSA-N
XLogP3.28
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chlorobenzoyl)amino]-1-ethyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 83282703
5-[(4-tert-butylphenyl)sulfonylamino]-1-ethyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 83282650
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
4-[(4-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 48581606
N-benzyl-1-butyl-5-[(4-methylbenzoyl)amino]indole-2-carboxamide
CID 83288380
4-methyl-N-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]benzamide
CID 31136249
4-(ethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 62166054
4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide
CID 67112996
N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-3,4-dimethylbenzamide
CID 83282691
5-N-(3,4-dimethylphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104222
5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide
CID 83281983

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(4-methylbenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide?
The IUPAC name of 1-ethyl-5-[(4-methylbenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide (CID 83288364) is 1-ethyl-5-[(4-methylbenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide.
What is the SMILES notation for 1-ethyl-5-[(4-methylbenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide?
The canonical SMILES for 1-ethyl-5-[(4-methylbenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide is CCn1c(C(=O)NCCN2CCOCC2)cc2cc(NC(=O)c3ccc(C)cc3)ccc21.
What is the InChIKey of 1-ethyl-5-[(4-methylbenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide?
The InChIKey is JZGYFHJSZLZQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-3-29-22-9-8-21(27-24(30)19-6-4-18(2)5-7-19)16-20(22)17-23(29)25(31)26-10-11-28-12-14-32-15-13-28/h4-9,16-17H,3,10-15H2,1-2H3,(H,26,31)(H,27,30).
What are the key properties of 1-ethyl-5-[(4-methylbenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide?
1-ethyl-5-[(4-methylbenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(4-methylbenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide is sourced from PubChem (CID 83288364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).