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

C17H20N2O3 — CID 164628635

IUPAC4-N-ethyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
SMILESCCNC(=O)c1cc(C(=O)NC)oc1[C@@H](C)c1ccccc1
InChIInChI=1S/C17H20N2O3/c1-4-19-16(20)13-10-14(17(21)18-3)22-15(13)11(2)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,18,21)(H,19,20)/t11-/m0/s1
InChIKeyUXUUILABFFELOX-NSHDSACASA-N
MW300.36 g/mol
LogP2.54
Rot. Bonds5

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

4-N-ethyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide (PubChem CID 164628635) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-N-ethyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-ethyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
PubChem CID164628635
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name4-N-ethyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
SMILESCCNC(=O)c1cc(C(=O)NC)oc1[C@@H](C)c1ccccc1
InChIInChI=1S/C17H20N2O3/c1-4-19-16(20)13-10-14(17(21)18-3)22-15(13)11(2)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,18,21)(H,19,20)/t11-/m0/s1
InChIKeyUXUUILABFFELOX-NSHDSACASA-N
XLogP2.54
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.54
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
2-N-methyl-5-[(1S)-1-phenylethyl]-4-N-propylfuran-2,4-dicarboxamide
CID 146434232
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
2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid
CID 120820547
2-benzylsulfanyl-N-ethylbenzamide
CID 894590
2-ethyl-5-[methyl(1-phenylethyl)carbamoyl]furan-3-carboxylic acid
CID 120820730
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride
CID 119714085
2-ethyl-5-[(4-hydroxy-2-phenylbutyl)carbamoyl]furan-3-carboxylic acid
CID 120821888
2-(ethylcarbamoyl)benzoic acid;propan-2-one
CID 90945559

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
The IUPAC name of 4-N-ethyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide (CID 164628635) is 4-N-ethyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide.
What is the SMILES notation for 4-N-ethyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
The canonical SMILES for 4-N-ethyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide is CCNC(=O)c1cc(C(=O)NC)oc1[C@@H](C)c1ccccc1.
What is the InChIKey of 4-N-ethyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
The InChIKey is UXUUILABFFELOX-NSHDSACASA-N. The full InChI is InChI=1S/C17H20N2O3/c1-4-19-16(20)13-10-14(17(21)18-3)22-15(13)11(2)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,18,21)(H,19,20)/t11-/m0/s1.
What are the key properties of 4-N-ethyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
4-N-ethyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide is sourced from PubChem (CID 164628635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).