N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide

C26H30N2O4 — CID 55651869

IUPACN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1CC1C(=O)Nc1ccc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1
InChIInChI=1S/C26H30N2O4/c1-17-14-21(17)25(30)28-20-7-4-18(5-8-20)24(29)27-16-26(10-2-3-11-26)19-6-9-22-23(15-19)32-13-12-31-22/h4-9,15,17,21H,2-3,10-14,16H2,1H3,(H,27,29)(H,28,30)
InChIKeyRLVAKGREFLCRSM-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.29
Rot. Bonds6

About N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 55651869) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID55651869
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC NameN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1CC1C(=O)Nc1ccc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1
InChIInChI=1S/C26H30N2O4/c1-17-14-21(17)25(30)28-20-7-4-18(5-8-20)24(29)27-16-26(10-2-3-11-26)19-6-9-22-23(15-19)32-13-12-31-22/h4-9,15,17,21H,2-3,10-14,16H2,1H3,(H,27,29)(H,28,30)
InChIKeyRLVAKGREFLCRSM-UHFFFAOYSA-N
XLogP4.29
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide 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-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]benzamide
CID 119697137
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-ethylthiophene-2-carboxamide
CID 60566864
trans-(1S,2S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropane-1-carboxamide
CID 30795803
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]oxane-4-carboxamide
CID 51283146
1-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]cyclopentane-1-carboxamide
CID 119275364
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-methylbutanamide
CID 51283138
1-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 119275374
N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2950939
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 47050546
N-[1-(ethylcarbamoyl)cyclohexyl]-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 52512489
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 113090819
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 46417934

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 55651869) is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide is CC1CC1C(=O)Nc1ccc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1.
What is the InChIKey of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is RLVAKGREFLCRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-17-14-21(17)25(30)28-20-7-4-18(5-8-20)24(29)27-16-26(10-2-3-11-26)19-6-9-22-23(15-19)32-13-12-31-22/h4-9,15,17,21H,2-3,10-14,16H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 434.54 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 55651869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).