N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide

C23H28N2O5 — CID 3245139

IUPACN-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
SMILESCCC(C)(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H28N2O5/c1-3-23(2,22(27)24-17-7-4-5-8-17)25(14-18-9-6-12-28-18)21(26)16-10-11-19-20(13-16)30-15-29-19/h6,9-13,17H,3-5,7-8,14-15H2,1-2H3,(H,24,27)
InChIKeyREILFBJRBYOPOH-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.88
Rot. Bonds7

About N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide

N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 3245139) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
PubChem CID3245139
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC NameN-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
SMILESCCC(C)(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H28N2O5/c1-3-23(2,22(27)24-17-7-4-5-8-17)25(14-18-9-6-12-28-18)21(26)16-10-11-19-20(13-16)30-15-29-19/h6,9-13,17H,3-5,7-8,14-15H2,1-2H3,(H,24,27)
InChIKeyREILFBJRBYOPOH-UHFFFAOYSA-N
XLogP3.88
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 3933880
N-cyclohexyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108958927
2-(1,3-benzodioxol-5-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 94282177
N-cyclopentyl-2-(furan-2-yl)acetamide
CID 110690587
3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea
CID 115617674
3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea
CID 38213350
2-[bis(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 27118894
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 42773032
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17439553
N-cyclopentyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide
CID 113150243
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 110821561
1-(1,3-benzodioxol-5-ylmethyl)-3-tert-butyl-1-(furan-2-ylmethyl)urea
CID 42724338

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide (CID 3245139) is N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide is CCC(C)(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is REILFBJRBYOPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-3-23(2,22(27)24-17-7-4-5-8-17)25(14-18-9-6-12-28-18)21(26)16-10-11-19-20(13-16)30-15-29-19/h6,9-13,17H,3-5,7-8,14-15H2,1-2H3,(H,24,27).
What are the key properties of N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide?
N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 3245139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).