2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide

C33H45N5O3 — CID 19074790

IUPAC2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCCOc1ccccc1CN(C)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C33H45N5O3/c1-3-41-31-16-10-7-11-25(31)23-36(2)33(40)30(21-26-22-34-29-15-9-8-14-28(26)29)35-32(39)24-37-17-19-38(20-18-37)27-12-5-4-6-13-27/h7-11,14-16,22,27,30,34H,3-6,12-13,17-21,23-24H2,1-2H3,(H,35,39)
InChIKeyYZLXAUPBDVOVRI-UHFFFAOYSA-N
MW559.76 g/mol
LogP4.20
Rot. Bonds11

About 2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide

2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide (PubChem CID 19074790) has the molecular formula C33H45N5O3 and a molecular weight of 559.76 g/mol. Its IUPAC name is 2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
PubChem CID19074790
Molecular FormulaC33H45N5O3
Molecular Weight559.76 g/mol
Exact Mass559.35
IUPAC Name2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCCOc1ccccc1CN(C)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C33H45N5O3/c1-3-41-31-16-10-7-11-25(31)23-36(2)33(40)30(21-26-22-34-29-15-9-8-14-28(26)29)35-32(39)24-37-17-19-38(20-18-37)27-12-5-4-6-13-27/h7-11,14-16,22,27,30,34H,3-6,12-13,17-21,23-24H2,1-2H3,(H,35,39)
InChIKeyYZLXAUPBDVOVRI-UHFFFAOYSA-N
XLogP4.20
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.76
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide 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-acetyl-2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(3,4-diethoxyphenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 19074687
2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 19074601
3-(1H-indol-3-yl)-N-methyl-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]-N-[(3,4,5-trichlorophenyl)methyl]propanamide
CID 19074829
2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(3,4-diethylphenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 19417974
N-[(3,4-diethoxyphenyl)methyl]-3-(1H-indol-3-yl)-N-methyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propanamide
CID 19074715
N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]butanamide
CID 57116362
methyl 2-[[2-(4-cyclohexyloxypiperidin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 86873968
2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(2-ethylphenyl)methyl]-3-(1H-indol-3-yl)butanamide
CID 57008394
2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(3,4-dimethylphenyl)methyl]-3-(1H-indol-3-yl)butanamide
CID 57214245
N-[(2R)-3-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propyl]-3-(2-methoxyphenyl)propanamide;dihydrochloride
CID 70198634
2-[[2-(3-cyclohexyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 19074526
2-[[2-(3-cyclohexyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[(3,4,5-triethylphenyl)methyl]propanamide
CID 19074632

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
The IUPAC name of 2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide (CID 19074790) is 2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide.
What is the SMILES notation for 2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
The canonical SMILES for 2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide is CCOc1ccccc1CN(C)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(C2CCCCC2)CC1.
What is the InChIKey of 2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
The InChIKey is YZLXAUPBDVOVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45N5O3/c1-3-41-31-16-10-7-11-25(31)23-36(2)33(40)30(21-26-22-34-29-15-9-8-14-28(26)29)35-32(39)24-37-17-19-38(20-18-37)27-12-5-4-6-13-27/h7-11,14-16,22,27,30,34H,3-6,12-13,17-21,23-24H2,1-2H3,(H,35,39).
What are the key properties of 2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide has a molecular weight of 559.76 g/mol, XLogP of 4.20, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 19074790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).