4-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide

C24H29N3O2 — CID 25161859

IUPAC4-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C24H29N3O2/c1-3-15-27(17-23(28)26-21-12-6-4-9-18(21)2)24(29)14-8-10-19-16-25-22-13-7-5-11-20(19)22/h4-7,9,11-13,16,25H,3,8,10,14-15,17H2,1-2H3,(H,26,28)
InChIKeyPNNCJXWSDKWRKQ-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.68
Rot. Bonds9

About 4-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide

4-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide (PubChem CID 25161859) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
PubChem CID25161859
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name4-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C24H29N3O2/c1-3-15-27(17-23(28)26-21-12-6-4-9-18(21)2)24(29)14-8-10-19-16-25-22-13-7-5-11-20(19)22/h4-7,9,11-13,16,25H,3,8,10,14-15,17H2,1-2H3,(H,26,28)
InChIKeyPNNCJXWSDKWRKQ-UHFFFAOYSA-N
XLogP4.68
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 25161690
N-ethyl-3-(1H-indol-3-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide
CID 26355956
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479
2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide
CID 34748373
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55904497
N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylpentanamide
CID 3293601
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
N-[N'-[2-(1H-indol-3-yl)ethyl]-N-(2-methylphenyl)carbamimidoyl]pentanamide
CID 46282878
2-[4-(1H-indol-3-yl)butanoyl-(2-methylpropyl)amino]acetic acid
CID 119192587
N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide
CID 42695889
6-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylhexanamide
CID 135993438
methyl 5-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoate
CID 23336475

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide (CID 25161859) is 4-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide?
The InChIKey is PNNCJXWSDKWRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-3-15-27(17-23(28)26-21-12-6-4-9-18(21)2)24(29)14-8-10-19-16-25-22-13-7-5-11-20(19)22/h4-7,9,11-13,16,25H,3,8,10,14-15,17H2,1-2H3,(H,26,28).
What are the key properties of 4-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide?
4-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide has a molecular weight of 391.52 g/mol, XLogP of 4.68, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide is sourced from PubChem (CID 25161859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).