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

C19H22N2O3 — CID 162476845

IUPAC4-N-cyclobutyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC2)c([C@@H](C)c2ccccc2)o1
InChIInChI=1S/C19H22N2O3/c1-12(13-7-4-3-5-8-13)17-15(11-16(24-17)19(23)20-2)18(22)21-14-9-6-10-14/h3-5,7-8,11-12,14H,6,9-10H2,1-2H3,(H,20,23)(H,21,22)/t12-/m0/s1
InChIKeyJSEPNCZXZFWSHU-LBPRGKRZSA-N
MW326.40 g/mol
LogP3.07
Rot. Bonds5

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

4-N-cyclobutyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide (PubChem CID 162476845) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-N-cyclobutyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclobutyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
PubChem CID162476845
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-N-cyclobutyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC2)c([C@@H](C)c2ccccc2)o1
InChIInChI=1S/C19H22N2O3/c1-12(13-7-4-3-5-8-13)17-15(11-16(24-17)19(23)20-2)18(22)21-14-9-6-10-14/h3-5,7-8,11-12,14H,6,9-10H2,1-2H3,(H,20,23)(H,21,22)/t12-/m0/s1
InChIKeyJSEPNCZXZFWSHU-LBPRGKRZSA-N
XLogP3.07
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-5-[(1S)-1-phenylethyl]-4-N-propylfuran-2,4-dicarboxamide
CID 146434232
4-N-ethyl-2-N-methyl-5-[(1R)-1-phenylethyl]furan-2,4-dicarboxamide
CID 146434342
5-[(1R)-1-(3,5-dichlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide
CID 146434248
N-(4-methoxycyclohexyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide
CID 163550541
5-[1-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide
CID 146434339
2-[1-(3-chloro-4-methylphenyl)ethyl]-N-(4-hydroxycyclohexyl)-5-propanoylfuran-3-carboxamide
CID 163742577
N-cyclobutyl-2-hydroxy-4-methylbenzamide
CID 62416758
N-cyclobutyl-4-hydroxy-2-methylbenzamide
CID 103865467
5-N-cyclobutyl-3-N-methyl-2-phenylmethoxypyridine-3,5-dicarboxamide
CID 126648561
N-cyclopentyl-2-hydroxy-4-propan-2-ylbenzamide
CID 47268168
1-[2-(3-benzylphenyl)propanoylamino]-3-cyclohexylurea
CID 59052017
N-[2-(cyclopentylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 17442222

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclobutyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
The IUPAC name of 4-N-cyclobutyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide (CID 162476845) is 4-N-cyclobutyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclobutyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
The canonical SMILES for 4-N-cyclobutyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CCC2)c([C@@H](C)c2ccccc2)o1.
What is the InChIKey of 4-N-cyclobutyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
The InChIKey is JSEPNCZXZFWSHU-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12(13-7-4-3-5-8-13)17-15(11-16(24-17)19(23)20-2)18(22)21-14-9-6-10-14/h3-5,7-8,11-12,14H,6,9-10H2,1-2H3,(H,20,23)(H,21,22)/t12-/m0/s1.
What are the key properties of 4-N-cyclobutyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
4-N-cyclobutyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclobutyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide is sourced from PubChem (CID 162476845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).