N'-(2-cyanoethyl)-N-[1-(2-methoxyethyl)indol-5-yl]-N'-phenylbutanediamide

C24H26N4O3 — CID 56505725

IUPACN'-(2-cyanoethyl)-N-[1-(2-methoxyethyl)indol-5-yl]-N'-phenylbutanediamide
SMILESCOCCn1ccc2cc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)ccc21
InChIInChI=1S/C24H26N4O3/c1-31-17-16-27-15-12-19-18-20(8-9-22(19)27)26-23(29)10-11-24(30)28(14-5-13-25)21-6-3-2-4-7-21/h2-4,6-9,12,15,18H,5,10-11,14,16-17H2,1H3,(H,26,29)
InChIKeyPCDCJNNFNPTIQG-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.95
Rot. Bonds10

About N'-(2-cyanoethyl)-N-[1-(2-methoxyethyl)indol-5-yl]-N'-phenylbutanediamide

N'-(2-cyanoethyl)-N-[1-(2-methoxyethyl)indol-5-yl]-N'-phenylbutanediamide (PubChem CID 56505725) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N'-(2-cyanoethyl)-N-[1-(2-methoxyethyl)indol-5-yl]-N'-phenylbutanediamide.

Molecular Properties

Compound NameN'-(2-cyanoethyl)-N-[1-(2-methoxyethyl)indol-5-yl]-N'-phenylbutanediamide
PubChem CID56505725
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN'-(2-cyanoethyl)-N-[1-(2-methoxyethyl)indol-5-yl]-N'-phenylbutanediamide
SMILESCOCCn1ccc2cc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)ccc21
InChIInChI=1S/C24H26N4O3/c1-31-17-16-27-15-12-19-18-20(8-9-22(19)27)26-23(29)10-11-24(30)28(14-5-13-25)21-6-3-2-4-7-21/h2-4,6-9,12,15,18H,5,10-11,14,16-17H2,1H3,(H,26,29)
InChIKeyPCDCJNNFNPTIQG-UHFFFAOYSA-N
XLogP3.95
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-(2-cyanoethyl)-N-[1-(2-methoxyethyl)indol-5-yl]-N'-phenylbutanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-cyanoethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-phenylbutanediamide
CID 56506377
N'-(2-cyanoethyl)-N'-phenyl-N-(3,4,5-trimethoxyphenyl)butanediamide
CID 56516214
N-(5-acetamido-2-methoxyphenyl)-N'-(2-cyanoethyl)-N'-phenylbutanediamide
CID 56505151
N'-(2-cyanoethyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-N'-phenylbutanediamide
CID 56504639
N'-(2-cyanoethyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-N'-phenylbutanediamide
CID 56513706
N'-(2-cyanoethyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-N'-phenylbutanediamide
CID 56514981
methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate
CID 71934793
2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid
CID 119235428
N-[3-(benzenesulfonamido)-4-methylphenyl]-N'-(2-cyanoethyl)-N'-phenylbutanediamide
CID 56505302
N'-(2-cyanoethyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]-N'-phenylbutanediamide
CID 56515980
N'-(2-cyanoethyl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]-N'-phenylbutanediamide
CID 56577667
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222823

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanoethyl)-N-[1-(2-methoxyethyl)indol-5-yl]-N'-phenylbutanediamide?
The IUPAC name of N'-(2-cyanoethyl)-N-[1-(2-methoxyethyl)indol-5-yl]-N'-phenylbutanediamide (CID 56505725) is N'-(2-cyanoethyl)-N-[1-(2-methoxyethyl)indol-5-yl]-N'-phenylbutanediamide.
What is the SMILES notation for N'-(2-cyanoethyl)-N-[1-(2-methoxyethyl)indol-5-yl]-N'-phenylbutanediamide?
The canonical SMILES for N'-(2-cyanoethyl)-N-[1-(2-methoxyethyl)indol-5-yl]-N'-phenylbutanediamide is COCCn1ccc2cc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)ccc21.
What is the InChIKey of N'-(2-cyanoethyl)-N-[1-(2-methoxyethyl)indol-5-yl]-N'-phenylbutanediamide?
The InChIKey is PCDCJNNFNPTIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-31-17-16-27-15-12-19-18-20(8-9-22(19)27)26-23(29)10-11-24(30)28(14-5-13-25)21-6-3-2-4-7-21/h2-4,6-9,12,15,18H,5,10-11,14,16-17H2,1H3,(H,26,29).
What are the key properties of N'-(2-cyanoethyl)-N-[1-(2-methoxyethyl)indol-5-yl]-N'-phenylbutanediamide?
N'-(2-cyanoethyl)-N-[1-(2-methoxyethyl)indol-5-yl]-N'-phenylbutanediamide has a molecular weight of 418.50 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanoethyl)-N-[1-(2-methoxyethyl)indol-5-yl]-N'-phenylbutanediamide is sourced from PubChem (CID 56505725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).