N-[1-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide

C18H20N2O5 — CID 47051546

IUPACN-[1-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)C(C)NC(=O)c1ccoc1
InChIInChI=1S/C18H20N2O5/c1-3-20(9-13-4-5-15-16(8-13)25-11-24-15)18(22)12(2)19-17(21)14-6-7-23-10-14/h4-8,10,12H,3,9,11H2,1-2H3,(H,19,21)
InChIKeyPHBITQVTUBLUQP-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.18
Rot. Bonds6

About N-[1-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[1-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 47051546) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[1-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID47051546
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC NameN-[1-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)C(C)NC(=O)c1ccoc1
InChIInChI=1S/C18H20N2O5/c1-3-20(9-13-4-5-15-16(8-13)25-11-24-15)18(22)12(2)19-17(21)14-6-7-23-10-14/h4-8,10,12H,3,9,11H2,1-2H3,(H,19,21)
InChIKeyPHBITQVTUBLUQP-UHFFFAOYSA-N
XLogP2.18
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[ethyl-[(3-nitrophenyl)methyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 51087049
N-(1,3-benzodioxol-5-ylmethyl)-2-bromo-N-ethylbutanamide
CID 62854334
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide
CID 60655471
N-[1-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 47057976
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-N-ethylpropanamide
CID 54874683
2-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 115573207
N-(3-oxopentan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 64991581
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide
CID 48849991
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,2,3,3-tetrafluoropropanamide
CID 103732398
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 94821314
3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]butanoic acid
CID 62827804

Frequently Asked Questions

What is the IUPAC name of N-[1-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 47051546) is N-[1-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide is CCN(Cc1ccc2c(c1)OCO2)C(=O)C(C)NC(=O)c1ccoc1.
What is the InChIKey of N-[1-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is PHBITQVTUBLUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-3-20(9-13-4-5-15-16(8-13)25-11-24-15)18(22)12(2)19-17(21)14-6-7-23-10-14/h4-8,10,12H,3,9,11H2,1-2H3,(H,19,21).
What are the key properties of N-[1-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[1-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 47051546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).