2-N-methyl-5-[(1S)-1-phenylethyl]-4-N-propylfuran-2,4-dicarboxamide

C18H22N2O3 — CID 146434232

IUPAC2-N-methyl-5-[(1S)-1-phenylethyl]-4-N-propylfuran-2,4-dicarboxamide
SMILESCCCNC(=O)c1cc(C(=O)NC)oc1[C@@H](C)c1ccccc1
InChIInChI=1S/C18H22N2O3/c1-4-10-20-17(21)14-11-15(18(22)19-3)23-16(14)12(2)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChIKeyVNJFNJDJIJEBIT-LBPRGKRZSA-N
MW314.39 g/mol
LogP2.93
Rot. Bonds6

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

2-N-methyl-5-[(1S)-1-phenylethyl]-4-N-propylfuran-2,4-dicarboxamide (PubChem CID 146434232) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-N-methyl-5-[(1S)-1-phenylethyl]-4-N-propylfuran-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-methyl-5-[(1S)-1-phenylethyl]-4-N-propylfuran-2,4-dicarboxamide
PubChem CID146434232
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-N-methyl-5-[(1S)-1-phenylethyl]-4-N-propylfuran-2,4-dicarboxamide
SMILESCCCNC(=O)c1cc(C(=O)NC)oc1[C@@H](C)c1ccccc1
InChIInChI=1S/C18H22N2O3/c1-4-10-20-17(21)14-11-15(18(22)19-3)23-16(14)12(2)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChIKeyVNJFNJDJIJEBIT-LBPRGKRZSA-N
XLogP2.93
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-ethyl-2-N-methyl-5-[(1R)-1-phenylethyl]furan-2,4-dicarboxamide
CID 146434342
4-N-ethyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
CID 164628635
4-N-(3-hydroxypropyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
CID 162476844
4-N-cyclobutyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
CID 162476845
N-(cyclopropylmethyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide
CID 163737616
N-(4-methoxycyclohexyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide
CID 163550541
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide
CID 43697641
2-[bis(4-hydroxyphenyl)methyl]-N-propylbenzamide
CID 19938132
2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid
CID 120820547
3-hydroxy-N-propylnaphthalene-1-carboxamide
CID 139771851
2-(2-methylpropanoylamino)-N-propylbenzamide
CID 31287518

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-5-[(1S)-1-phenylethyl]-4-N-propylfuran-2,4-dicarboxamide?
The IUPAC name of 2-N-methyl-5-[(1S)-1-phenylethyl]-4-N-propylfuran-2,4-dicarboxamide (CID 146434232) is 2-N-methyl-5-[(1S)-1-phenylethyl]-4-N-propylfuran-2,4-dicarboxamide.
What is the SMILES notation for 2-N-methyl-5-[(1S)-1-phenylethyl]-4-N-propylfuran-2,4-dicarboxamide?
The canonical SMILES for 2-N-methyl-5-[(1S)-1-phenylethyl]-4-N-propylfuran-2,4-dicarboxamide is CCCNC(=O)c1cc(C(=O)NC)oc1[C@@H](C)c1ccccc1.
What is the InChIKey of 2-N-methyl-5-[(1S)-1-phenylethyl]-4-N-propylfuran-2,4-dicarboxamide?
The InChIKey is VNJFNJDJIJEBIT-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-10-20-17(21)14-11-15(18(22)19-3)23-16(14)12(2)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,19,22)(H,20,21)/t12-/m0/s1.
What are the key properties of 2-N-methyl-5-[(1S)-1-phenylethyl]-4-N-propylfuran-2,4-dicarboxamide?
2-N-methyl-5-[(1S)-1-phenylethyl]-4-N-propylfuran-2,4-dicarboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-5-[(1S)-1-phenylethyl]-4-N-propylfuran-2,4-dicarboxamide is sourced from PubChem (CID 146434232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).