1-benzyl-N-hexyl-4-phenylmethoxyindole-2-carboxamide

C29H32N2O2 — CID 42804017

IUPAC1-benzyl-N-hexyl-4-phenylmethoxyindole-2-carboxamide
SMILESCCCCCCNC(=O)c1cc2c(OCc3ccccc3)cccc2n1Cc1ccccc1
InChIInChI=1S/C29H32N2O2/c1-2-3-4-11-19-30-29(32)27-20-25-26(31(27)21-23-13-7-5-8-14-23)17-12-18-28(25)33-22-24-15-9-6-10-16-24/h5-10,12-18,20H,2-4,11,19,21-22H2,1H3,(H,30,32)
InChIKeyTUINKDYFTIRNSW-UHFFFAOYSA-N
MW440.59 g/mol
LogP6.58
Rot. Bonds11

About 1-benzyl-N-hexyl-4-phenylmethoxyindole-2-carboxamide

1-benzyl-N-hexyl-4-phenylmethoxyindole-2-carboxamide (PubChem CID 42804017) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 1-benzyl-N-hexyl-4-phenylmethoxyindole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-hexyl-4-phenylmethoxyindole-2-carboxamide
PubChem CID42804017
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC Name1-benzyl-N-hexyl-4-phenylmethoxyindole-2-carboxamide
SMILESCCCCCCNC(=O)c1cc2c(OCc3ccccc3)cccc2n1Cc1ccccc1
InChIInChI=1S/C29H32N2O2/c1-2-3-4-11-19-30-29(32)27-20-25-26(31(27)21-23-13-7-5-8-14-23)17-12-18-28(25)33-22-24-15-9-6-10-16-24/h5-10,12-18,20H,2-4,11,19,21-22H2,1H3,(H,30,32)
InChIKeyTUINKDYFTIRNSW-UHFFFAOYSA-N
XLogP6.58
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-benzyl-N-hexyl-4-phenylmethoxyindole-2-carboxamide 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

4-phenylmethoxy-N-(2-piperidin-1-ylethyl)-1-propylindole-2-carboxamide
CID 42804025
4-ethoxy-N-hexyl-1-(1-phenylethyl)indole-2-carboxamide
CID 42806233
N-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667169
N-cyclopropyl-1-(2-methylpropyl)-4-phenylmethoxyindole-2-carboxamide
CID 42807240
1-(2-methoxyethyl)-4-phenylmethoxy-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 42667450
N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667137
[4-[[[1-[(3-carbamimidoylphenyl)methyl]-4-phenylmethoxyindole-2-carbonyl]amino]methyl]phenyl]-trimethylazanium;iodide;hydroiodide
CID 18327665
N-pentyl-3-phenylmethoxybenzamide
CID 112759707
4-ethoxy-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid
CID 42804741
1-ethyl-2-methyl-4-phenylmethoxyindole
CID 143459562
1-[(4-methylphenyl)methyl]-4-prop-2-enoxy-N-(2-pyrrolidin-1-ylethyl)indole-2-carboxamide
CID 42807246
N-butyl-4-methoxy-1-pyrimidin-2-ylindole-2-carboxamide
CID 122377454

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-hexyl-4-phenylmethoxyindole-2-carboxamide?
The IUPAC name of 1-benzyl-N-hexyl-4-phenylmethoxyindole-2-carboxamide (CID 42804017) is 1-benzyl-N-hexyl-4-phenylmethoxyindole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-hexyl-4-phenylmethoxyindole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-hexyl-4-phenylmethoxyindole-2-carboxamide is CCCCCCNC(=O)c1cc2c(OCc3ccccc3)cccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-hexyl-4-phenylmethoxyindole-2-carboxamide?
The InChIKey is TUINKDYFTIRNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2/c1-2-3-4-11-19-30-29(32)27-20-25-26(31(27)21-23-13-7-5-8-14-23)17-12-18-28(25)33-22-24-15-9-6-10-16-24/h5-10,12-18,20H,2-4,11,19,21-22H2,1H3,(H,30,32).
What are the key properties of 1-benzyl-N-hexyl-4-phenylmethoxyindole-2-carboxamide?
1-benzyl-N-hexyl-4-phenylmethoxyindole-2-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 6.58, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-hexyl-4-phenylmethoxyindole-2-carboxamide is sourced from PubChem (CID 42804017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).