N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide

C18H20N2O5 — CID 3357704

IUPACN-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCC(=O)NCc2ccc3c(c2)OCO3)c(C)o1
InChIInChI=1S/C18H20N2O5/c1-11-7-14(12(2)25-11)18(22)19-6-5-17(21)20-9-13-3-4-15-16(8-13)24-10-23-15/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyIXSLLAKAQZXNCK-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.06
Rot. Bonds6

About N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide

N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 3357704) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID3357704
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC NameN-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCC(=O)NCc2ccc3c(c2)OCO3)c(C)o1
InChIInChI=1S/C18H20N2O5/c1-11-7-14(12(2)25-11)18(22)19-6-5-17(21)20-9-13-3-4-15-16(8-13)24-10-23-15/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyIXSLLAKAQZXNCK-UHFFFAOYSA-N
XLogP2.06
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N'-[(5-methylfuran-2-yl)methyl]butanediamide
CID 3397094
N-(1,3-benzodioxol-5-ylmethyl)-3-(propylamino)propanamide
CID 109011504
N-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromo-4-methylanilino)propanamide
CID 109022653
3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-propylpropanamide
CID 86822152
N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 51192543
N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide
CID 110697623
N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide
CID 2810954
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110410345
N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]benzamide
CID 39753224
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112522048
N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109022582

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide (CID 3357704) is N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCCC(=O)NCc2ccc3c(c2)OCO3)c(C)o1.
What is the InChIKey of N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is IXSLLAKAQZXNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-11-7-14(12(2)25-11)18(22)19-6-5-17(21)20-9-13-3-4-15-16(8-13)24-10-23-15/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide?
N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 3357704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).