5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide

C14H15NO2 — CID 844051

IUPAC5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](C)c2ccccc2)o1
InChIInChI=1S/C14H15NO2/c1-10-8-9-13(17-10)14(16)15-11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyYBISWKNCLVOFBM-NSHDSACASA-N
MW229.28 g/mol
LogP3.08
Rot. Bonds3

About 5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide

5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide (PubChem CID 844051) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide
PubChem CID844051
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](C)c2ccccc2)o1
InChIInChI=1S/C14H15NO2/c1-10-8-9-13(17-10)14(16)15-11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyYBISWKNCLVOFBM-NSHDSACASA-N
XLogP3.08
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 2452836
N-[1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 4878419
5-amino-N-(1-phenylethyl)furan-2-carboxamide
CID 82344125
N-(2-bromo-1-phenylethyl)-5-methylfuran-2-carboxamide
CID 114311008
methyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
CID 62111371
ethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
CID 108804015
4-methyl-N-(1-phenylethyl)furan-2-carboxamide
CID 110850967
5-(2-chlorophenyl)-N-(1-phenylethyl)furan-2-carboxamide
CID 5262420
5-(2-fluorophenyl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 51427238
5-methyl-N-[(S)-phenyl(thiophen-2-yl)methyl]furan-2-carboxamide
CID 25437940
4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]pyran-2-carboxylic acid
CID 59356740
N-[1-(2,5-dimethylphenyl)ethyl]-5-methylfuran-2-carboxamide
CID 17327235

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide?
The IUPAC name of 5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide (CID 844051) is 5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide is Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)o1.
What is the InChIKey of 5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide?
The InChIKey is YBISWKNCLVOFBM-NSHDSACASA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-8-9-13(17-10)14(16)15-11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,15,16)/t11-/m0/s1.
What are the key properties of 5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide?
5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide is sourced from PubChem (CID 844051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).