N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide

C17H19N3O4 — CID 7535615

IUPACN-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C17H19N3O4/c1-11-5-3-6-12(2)16(11)20-15(22)10-18-14(21)9-19-17(23)13-7-4-8-24-13/h3-8H,9-10H2,1-2H3,(H,18,21)(H,19,23)(H,20,22)
InChIKeyDLSJKLILCVQDGG-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.38
Rot. Bonds6

About N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 7535615) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID7535615
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C17H19N3O4/c1-11-5-3-6-12(2)16(11)20-15(22)10-18-14(21)9-19-17(23)13-7-4-8-24-13/h3-8H,9-10H2,1-2H3,(H,18,21)(H,19,23)(H,20,22)
InChIKeyDLSJKLILCVQDGG-UHFFFAOYSA-N
XLogP1.38
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 27760510
N-[2-(2,6-difluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 110698062
N-[2-[[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 43035097
N-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 26002051
N-[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 9021563
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7676704
N-[2-oxo-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]ethyl]furan-2-carboxamide
CID 9225396
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(4-hydroxyphenyl)acetamide
CID 78821982
N-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]furan-2-carboxamide
CID 9141000
N-[2-(3-methylsulfanylanilino)-2-oxoethyl]furan-2-carboxamide
CID 9402829
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)acetamide
CID 7676831
N-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 771844

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 7535615) is N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide is Cc1cccc(C)c1NC(=O)CNC(=O)CNC(=O)c1ccco1.
What is the InChIKey of N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is DLSJKLILCVQDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11-5-3-6-12(2)16(11)20-15(22)10-18-14(21)9-19-17(23)13-7-4-8-24-13/h3-8H,9-10H2,1-2H3,(H,18,21)(H,19,23)(H,20,22).
What are the key properties of N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 7535615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).