2-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide

C24H28ClN3O4 — CID 24561334

IUPAC2-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)CN(Cc1ccc2c(c1)OCO2)C1CCCC1
InChIInChI=1S/C24H28ClN3O4/c1-16-19(25)7-4-8-20(16)27-23(29)12-26-24(30)14-28(18-5-2-3-6-18)13-17-9-10-21-22(11-17)32-15-31-21/h4,7-11,18H,2-3,5-6,12-15H2,1H3,(H,26,30)(H,27,29)
InChIKeyHSHKWBBOIQHQBB-UHFFFAOYSA-N
MW457.96 g/mol
LogP3.88
Rot. Bonds8

About 2-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide

2-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 24561334) has the molecular formula C24H28ClN3O4 and a molecular weight of 457.96 g/mol. Its IUPAC name is 2-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID24561334
Molecular FormulaC24H28ClN3O4
Molecular Weight457.96 g/mol
Exact Mass457.18
IUPAC Name2-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)CN(Cc1ccc2c(c1)OCO2)C1CCCC1
InChIInChI=1S/C24H28ClN3O4/c1-16-19(25)7-4-8-20(16)27-23(29)12-26-24(30)14-28(18-5-2-3-6-18)13-17-9-10-21-22(11-17)32-15-31-21/h4,7-11,18H,2-3,5-6,12-15H2,1H3,(H,26,30)(H,27,29)
InChIKeyHSHKWBBOIQHQBB-UHFFFAOYSA-N
XLogP3.88
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.96
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide 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

2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-2-methylphenyl)acetamide
CID 109008524
N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-2-methylphenyl)-2,2-dimethylpropanediamide
CID 108963181
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 27676992
(3R)-1-(1,3-benzodioxol-5-yl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 31905210
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 30934258
ethyl 2-[1,3-benzodioxol-5-ylmethyl(cyclopropyl)amino]acetate
CID 62027413
N-(3-chloro-2-methylphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 1287742
2-[azetidin-3-yl(methyl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 66186198
N'-(3-chloro-2-methylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide
CID 108955118
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dichlorophenyl)propanamide
CID 40797726
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide
CID 42724637
N-(1,3-benzodioxol-5-ylmethyl)-5-[[(3-chlorophenyl)methyl-cyclohexylamino]methyl]-1,2-oxazole-3-carboxamide
CID 23825298

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide (CID 24561334) is 2-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide is Cc1c(Cl)cccc1NC(=O)CNC(=O)CN(Cc1ccc2c(c1)OCO2)C1CCCC1.
What is the InChIKey of 2-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is HSHKWBBOIQHQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O4/c1-16-19(25)7-4-8-20(16)27-23(29)12-26-24(30)14-28(18-5-2-3-6-18)13-17-9-10-21-22(11-17)32-15-31-21/h4,7-11,18H,2-3,5-6,12-15H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 2-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide?
2-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 457.96 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 24561334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).