4-acetyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]furan-3-carboxamide

C19H22N2O5 — CID 108740607

IUPAC4-acetyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]furan-3-carboxamide
SMILESCC(=O)c1c(C)oc(NC(=O)c2cccc(OCC(C)C)c2)c1C(N)=O
InChIInChI=1S/C19H22N2O5/c1-10(2)9-25-14-7-5-6-13(8-14)18(24)21-19-16(17(20)23)15(11(3)22)12(4)26-19/h5-8,10H,9H2,1-4H3,(H2,20,23)(H,21,24)
InChIKeyRSEPMQPDQBIKGD-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.18
Rot. Bonds7

About 4-acetyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]furan-3-carboxamide

4-acetyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]furan-3-carboxamide (PubChem CID 108740607) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 4-acetyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]furan-3-carboxamide.

Molecular Properties

Compound Name4-acetyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]furan-3-carboxamide
PubChem CID108740607
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name4-acetyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]furan-3-carboxamide
SMILESCC(=O)c1c(C)oc(NC(=O)c2cccc(OCC(C)C)c2)c1C(N)=O
InChIInChI=1S/C19H22N2O5/c1-10(2)9-25-14-7-5-6-13(8-14)18(24)21-19-16(17(20)23)15(11(3)22)12(4)26-19/h5-8,10H,9H2,1-4H3,(H2,20,23)(H,21,24)
InChIKeyRSEPMQPDQBIKGD-UHFFFAOYSA-N
XLogP3.18
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]thiophene-3-carboxamide
CID 17168960
4-acetyl-2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-5-methylfuran-3-carboxamide
CID 108740715
4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763234
ethyl 4-acetyl-2-[(3-fluorobenzoyl)amino]-5-methylfuran-3-carboxylate
CID 108740989
4-acetyl-5-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]furan-3-carboxamide
CID 108740756
N-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)benzamide
CID 112551104
N-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120568798
3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079530
4,5-dimethyl-2-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]thiophene-3-carboxamide
CID 17140589
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-methylpropoxy)benzamide
CID 107845536
N-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17140330
N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide
CID 7589542

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]furan-3-carboxamide?
The IUPAC name of 4-acetyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]furan-3-carboxamide (CID 108740607) is 4-acetyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]furan-3-carboxamide.
What is the SMILES notation for 4-acetyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]furan-3-carboxamide?
The canonical SMILES for 4-acetyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]furan-3-carboxamide is CC(=O)c1c(C)oc(NC(=O)c2cccc(OCC(C)C)c2)c1C(N)=O.
What is the InChIKey of 4-acetyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]furan-3-carboxamide?
The InChIKey is RSEPMQPDQBIKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-10(2)9-25-14-7-5-6-13(8-14)18(24)21-19-16(17(20)23)15(11(3)22)12(4)26-19/h5-8,10H,9H2,1-4H3,(H2,20,23)(H,21,24).
What are the key properties of 4-acetyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]furan-3-carboxamide?
4-acetyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]furan-3-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]furan-3-carboxamide is sourced from PubChem (CID 108740607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).