N-cyano-N-ethyl-2-[3-(1H-indol-3-yl)propanoylamino]-3-naphthalen-2-ylpropanamide

C27H26N4O2 — CID 87927086

IUPACN-cyano-N-ethyl-2-[3-(1H-indol-3-yl)propanoylamino]-3-naphthalen-2-ylpropanamide
SMILESCCN(C#N)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C27H26N4O2/c1-2-31(18-28)27(33)25(16-19-11-12-20-7-3-4-8-21(20)15-19)30-26(32)14-13-22-17-29-24-10-6-5-9-23(22)24/h3-12,15,17,25,29H,2,13-14,16H2,1H3,(H,30,32)
InChIKeyLANCQEMWQYAWKA-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.31
Rot. Bonds8

About N-cyano-N-ethyl-2-[3-(1H-indol-3-yl)propanoylamino]-3-naphthalen-2-ylpropanamide

N-cyano-N-ethyl-2-[3-(1H-indol-3-yl)propanoylamino]-3-naphthalen-2-ylpropanamide (PubChem CID 87927086) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-cyano-N-ethyl-2-[3-(1H-indol-3-yl)propanoylamino]-3-naphthalen-2-ylpropanamide.

Molecular Properties

Compound NameN-cyano-N-ethyl-2-[3-(1H-indol-3-yl)propanoylamino]-3-naphthalen-2-ylpropanamide
PubChem CID87927086
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC NameN-cyano-N-ethyl-2-[3-(1H-indol-3-yl)propanoylamino]-3-naphthalen-2-ylpropanamide
SMILESCCN(C#N)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C27H26N4O2/c1-2-31(18-28)27(33)25(16-19-11-12-20-7-3-4-8-21(20)15-19)30-26(32)14-13-22-17-29-24-10-6-5-9-23(22)24/h3-12,15,17,25,29H,2,13-14,16H2,1H3,(H,30,32)
InChIKeyLANCQEMWQYAWKA-UHFFFAOYSA-N
XLogP4.31
TPSA88.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze N-cyano-N-ethyl-2-[3-(1H-indol-3-yl)propanoylamino]-3-naphthalen-2-ylpropanamide 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

3-(chloromethyl)-N-[1-[cyano(ethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 87927546
N-cyano-N-ethyl-3-naphthalen-2-yl-2-[(2-phenylcyclopropyl)carbamoylamino]propanamide
CID 87927831
2-aminoethyl N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate
CID 59081943
2-[4-(1H-indol-3-yl)butanoylamino]-3-phenylpropanoic acid
CID 6917052
(E)-2-[3-(1H-indol-3-yl)propanoylamino]hex-4-enoic acid
CID 120692449
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 25470256
methyl (2R)-3-(1H-indol-3-yl)-2-[3-(4-propan-2-ylphenyl)propanoylamino]propanoate
CID 55940416
(2R)-4-[3-(1H-indol-3-yl)propanoylamino]-2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 126724231
2-[3-(1H-indol-3-yl)propanoylamino]-4-methoxybutanoic acid
CID 120701902
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 26447481
2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide
CID 47315730

Frequently Asked Questions

What is the IUPAC name of N-cyano-N-ethyl-2-[3-(1H-indol-3-yl)propanoylamino]-3-naphthalen-2-ylpropanamide?
The IUPAC name of N-cyano-N-ethyl-2-[3-(1H-indol-3-yl)propanoylamino]-3-naphthalen-2-ylpropanamide (CID 87927086) is N-cyano-N-ethyl-2-[3-(1H-indol-3-yl)propanoylamino]-3-naphthalen-2-ylpropanamide.
What is the SMILES notation for N-cyano-N-ethyl-2-[3-(1H-indol-3-yl)propanoylamino]-3-naphthalen-2-ylpropanamide?
The canonical SMILES for N-cyano-N-ethyl-2-[3-(1H-indol-3-yl)propanoylamino]-3-naphthalen-2-ylpropanamide is CCN(C#N)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-cyano-N-ethyl-2-[3-(1H-indol-3-yl)propanoylamino]-3-naphthalen-2-ylpropanamide?
The InChIKey is LANCQEMWQYAWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-2-31(18-28)27(33)25(16-19-11-12-20-7-3-4-8-21(20)15-19)30-26(32)14-13-22-17-29-24-10-6-5-9-23(22)24/h3-12,15,17,25,29H,2,13-14,16H2,1H3,(H,30,32).
What are the key properties of N-cyano-N-ethyl-2-[3-(1H-indol-3-yl)propanoylamino]-3-naphthalen-2-ylpropanamide?
N-cyano-N-ethyl-2-[3-(1H-indol-3-yl)propanoylamino]-3-naphthalen-2-ylpropanamide has a molecular weight of 438.53 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N-ethyl-2-[3-(1H-indol-3-yl)propanoylamino]-3-naphthalen-2-ylpropanamide is sourced from PubChem (CID 87927086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).