4-N-(1-hydroxypropan-2-yl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide

C18H22N2O4 — CID 146434341

IUPAC4-N-(1-hydroxypropan-2-yl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC(C)CO)c([C@@H](C)c2ccccc2)o1
InChIInChI=1S/C18H22N2O4/c1-11(10-21)20-17(22)14-9-15(18(23)19-3)24-16(14)12(2)13-7-5-4-6-8-13/h4-9,11-12,21H,10H2,1-3H3,(H,19,23)(H,20,22)/t11?,12-/m0/s1
InChIKeyAETFNKUXBOOIGL-KIYNQFGBSA-N
MW330.38 g/mol
LogP1.90
Rot. Bonds6

About 4-N-(1-hydroxypropan-2-yl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide

4-N-(1-hydroxypropan-2-yl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide (PubChem CID 146434341) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-N-(1-hydroxypropan-2-yl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(1-hydroxypropan-2-yl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
PubChem CID146434341
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name4-N-(1-hydroxypropan-2-yl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC(C)CO)c([C@@H](C)c2ccccc2)o1
InChIInChI=1S/C18H22N2O4/c1-11(10-21)20-17(22)14-9-15(18(23)19-3)24-16(14)12(2)13-7-5-4-6-8-13/h4-9,11-12,21H,10H2,1-3H3,(H,19,23)(H,20,22)/t11?,12-/m0/s1
InChIKeyAETFNKUXBOOIGL-KIYNQFGBSA-N
XLogP1.90
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-N-(1-hydroxypropan-2-yl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide with MolForge

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Related Compounds

(2S)-2-[[2-ethoxy-4-[5-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]butanedioic acid
CID 118225803
Furan-2-carboxamide deriv., 17
CID 44236903
Furan-2-carboxamide deriv., 19
CID 44236905
2N-methyl-4N-(4-oxidanylcyclohexyl)-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
CID 146434124
5-(2-methylpropyl)-N-(2-phenoxyethyl)furan-2-carboxamide
CID 5295624
N-cycloheptyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2536679
5-(4-acetylphenyl)-N-cycloheptylfuran-2-carboxamide
CID 4879803
N-cyclohexyl-5-(2-fluorophenyl)furan-2-carboxamide
CID 7594453
3-[3-(Furan-2-carbonylamino)propanoylamino]-3-(4-methylphenyl)propanoic acid
CID 16322402
4-[[[2-(Furan-2-carbonylamino)-3-methylbutanoyl]amino]methyl]benzoic acid
CID 16326233
5-(4-acetylphenyl)-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 18160218
Ethyl 3-(2-furylcarbonylamino)-3-(4-methylphenyl)propanoate
CID 4030511

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-hydroxypropan-2-yl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
The IUPAC name of 4-N-(1-hydroxypropan-2-yl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide (CID 146434341) is 4-N-(1-hydroxypropan-2-yl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(1-hydroxypropan-2-yl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
The canonical SMILES for 4-N-(1-hydroxypropan-2-yl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NC(C)CO)c([C@@H](C)c2ccccc2)o1.
What is the InChIKey of 4-N-(1-hydroxypropan-2-yl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
The InChIKey is AETFNKUXBOOIGL-KIYNQFGBSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-11(10-21)20-17(22)14-9-15(18(23)19-3)24-16(14)12(2)13-7-5-4-6-8-13/h4-9,11-12,21H,10H2,1-3H3,(H,19,23)(H,20,22)/t11?,12-/m0/s1.
What are the key properties of 4-N-(1-hydroxypropan-2-yl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
4-N-(1-hydroxypropan-2-yl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide has a molecular weight of 330.38 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-hydroxypropan-2-yl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide is sourced from PubChem (CID 146434341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).