methyl 5-[[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-cyclopropylamino]-5-oxopentanoate

C25H30N2O7 — CID 4209299

IUPACmethyl 5-[[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-cyclopropylamino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccc(C)o1)C1CC1
InChIInChI=1S/C25H30N2O7/c1-17-6-10-20(34-17)14-26(13-18-7-11-21-22(12-18)33-16-32-21)24(29)15-27(19-8-9-19)23(28)4-3-5-25(30)31-2/h6-7,10-12,19H,3-5,8-9,13-16H2,1-2H3
InChIKeyVNWYCLQSOTVRJG-UHFFFAOYSA-N
MW470.52 g/mol
LogP3.18
Rot. Bonds11

About methyl 5-[[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-cyclopropylamino]-5-oxopentanoate

methyl 5-[[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-cyclopropylamino]-5-oxopentanoate (PubChem CID 4209299) has the molecular formula C25H30N2O7 and a molecular weight of 470.52 g/mol. Its IUPAC name is methyl 5-[[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-cyclopropylamino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-cyclopropylamino]-5-oxopentanoate
PubChem CID4209299
Molecular FormulaC25H30N2O7
Molecular Weight470.52 g/mol
Exact Mass470.21
IUPAC Namemethyl 5-[[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-cyclopropylamino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccc(C)o1)C1CC1
InChIInChI=1S/C25H30N2O7/c1-17-6-10-20(34-17)14-26(13-18-7-11-21-22(12-18)33-16-32-21)24(29)15-27(19-8-9-19)23(28)4-3-5-25(30)31-2/h6-7,10-12,19H,3-5,8-9,13-16H2,1-2H3
InChIKeyVNWYCLQSOTVRJG-UHFFFAOYSA-N
XLogP3.18
TPSA98.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-cyclopropylamino]-5-oxopentanoate 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

methyl 5-[[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-prop-2-enylamino]-5-oxopentanoate
CID 3388861
N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2,4-dimethoxybenzamide
CID 5034674
N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide
CID 1058331
N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]hexanamide
CID 42773300
N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-phenylbutanamide
CID 4239232
N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)heptanamide
CID 4121422
N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpentanamide
CID 4583809
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyloctanamide
CID 3882073
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,4-dimethoxyphenyl)carbamoyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5061295
N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2,2-dichloro-N-(2-methoxyethyl)acetamide
CID 4048290
N-(1,3-benzodioxol-5-ylmethyl)-2-[dimethylcarbamoyl(oxolan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4197515
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5060410

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-cyclopropylamino]-5-oxopentanoate?
The IUPAC name of methyl 5-[[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-cyclopropylamino]-5-oxopentanoate (CID 4209299) is methyl 5-[[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-cyclopropylamino]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-cyclopropylamino]-5-oxopentanoate?
The canonical SMILES for methyl 5-[[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-cyclopropylamino]-5-oxopentanoate is COC(=O)CCCC(=O)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccc(C)o1)C1CC1.
What is the InChIKey of methyl 5-[[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-cyclopropylamino]-5-oxopentanoate?
The InChIKey is VNWYCLQSOTVRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O7/c1-17-6-10-20(34-17)14-26(13-18-7-11-21-22(12-18)33-16-32-21)24(29)15-27(19-8-9-19)23(28)4-3-5-25(30)31-2/h6-7,10-12,19H,3-5,8-9,13-16H2,1-2H3.
What are the key properties of methyl 5-[[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-cyclopropylamino]-5-oxopentanoate?
methyl 5-[[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-cyclopropylamino]-5-oxopentanoate has a molecular weight of 470.52 g/mol, XLogP of 3.18, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-cyclopropylamino]-5-oxopentanoate is sourced from PubChem (CID 4209299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).