N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-methoxybenzamide

C36H36FN3O4 — CID 42777762

IUPACN-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-methoxybenzamide
SMILESCCOc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(Cc2ccc(F)cc2)C(=O)c2ccccc2OC)cc1
InChIInChI=1S/C36H36FN3O4/c1-3-44-30-18-14-27(15-19-30)23-39(21-20-28-22-38-33-10-6-4-8-31(28)33)35(41)25-40(24-26-12-16-29(37)17-13-26)36(42)32-9-5-7-11-34(32)43-2/h4-19,22,38H,3,20-21,23-25H2,1-2H3
InChIKeyREWTTXXUWNNRND-UHFFFAOYSA-N
MW593.70 g/mol
LogP6.63
Rot. Bonds13

About N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-methoxybenzamide

N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-methoxybenzamide (PubChem CID 42777762) has the molecular formula C36H36FN3O4 and a molecular weight of 593.70 g/mol. Its IUPAC name is N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-methoxybenzamide
PubChem CID42777762
Molecular FormulaC36H36FN3O4
Molecular Weight593.70 g/mol
Exact Mass593.27
IUPAC NameN-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-methoxybenzamide
SMILESCCOc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(Cc2ccc(F)cc2)C(=O)c2ccccc2OC)cc1
InChIInChI=1S/C36H36FN3O4/c1-3-44-30-18-14-27(15-19-30)23-39(21-20-28-22-38-33-10-6-4-8-31(28)33)35(41)25-40(24-26-12-16-29(37)17-13-26)36(42)32-9-5-7-11-34(32)43-2/h4-19,22,38H,3,20-21,23-25H2,1-2H3
InChIKeyREWTTXXUWNNRND-UHFFFAOYSA-N
XLogP6.63
TPSA74.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.70
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-methoxybenzamide 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-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]naphthalene-1-carboxamide
CID 42777758
N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-fluoro-N-propylbenzamide
CID 4175232
N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2,4-dimethoxy-N-(3-methoxypropyl)benzamide
CID 5060614
N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 5113360
N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide
CID 4251261
N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)naphthalene-1-carboxamide
CID 4171560
N-butyl-2-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide
CID 4534995
N-[2-[(3,4-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methoxy-N-(2-methylpropyl)benzamide
CID 42772006
4-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 42777113
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 4656430
N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4572257
N-butan-2-yl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 42777837

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-methoxybenzamide (CID 42777762) is N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-methoxybenzamide is CCOc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(Cc2ccc(F)cc2)C(=O)c2ccccc2OC)cc1.
What is the InChIKey of N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-methoxybenzamide?
The InChIKey is REWTTXXUWNNRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36FN3O4/c1-3-44-30-18-14-27(15-19-30)23-39(21-20-28-22-38-33-10-6-4-8-31(28)33)35(41)25-40(24-26-12-16-29(37)17-13-26)36(42)32-9-5-7-11-34(32)43-2/h4-19,22,38H,3,20-21,23-25H2,1-2H3.
What are the key properties of N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-methoxybenzamide?
N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-methoxybenzamide has a molecular weight of 593.70 g/mol, XLogP of 6.63, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 42777762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).