N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]furan-2-carboxamide

C16H19NO2 — CID 30402622

IUPACN-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]furan-2-carboxamide
SMILESCc1cc(C)c([C@@H](C)NC(=O)c2ccco2)cc1C
InChIInChI=1S/C16H19NO2/c1-10-8-12(3)14(9-11(10)2)13(4)17-16(18)15-6-5-7-19-15/h5-9,13H,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyQLFNZVLRQWSVQE-CYBMUJFWSA-N
MW257.33 g/mol
LogP3.70
Rot. Bonds3

About N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]furan-2-carboxamide

N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]furan-2-carboxamide (PubChem CID 30402622) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]furan-2-carboxamide
PubChem CID30402622
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]furan-2-carboxamide
SMILESCc1cc(C)c([C@@H](C)NC(=O)c2ccco2)cc1C
InChIInChI=1S/C16H19NO2/c1-10-8-12(3)14(9-11(10)2)13(4)17-16(18)15-6-5-7-19-15/h5-9,13H,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyQLFNZVLRQWSVQE-CYBMUJFWSA-N
XLogP3.70
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(furan-2-ylmethyl)-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide
CID 30405111
2,6-dimethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 30402642
N-[1-(4-bromophenyl)ethyl]furan-2-carboxamide
CID 2919180
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
4-phenyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133217691
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide
CID 41095457
N-(1-thiophen-3-ylethyl)furan-2-carboxamide
CID 64590791
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 18200791
N-[1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]furan-2-carboxamide
CID 4829465
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]furan-2-carboxamide
CID 47317372
N-[5-[1-(2-methoxy-5-methylphenyl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 78813140
N-[1-[1-(2-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78771444

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]furan-2-carboxamide (CID 30402622) is N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]furan-2-carboxamide is Cc1cc(C)c([C@@H](C)NC(=O)c2ccco2)cc1C.
What is the InChIKey of N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]furan-2-carboxamide?
The InChIKey is QLFNZVLRQWSVQE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19NO2/c1-10-8-12(3)14(9-11(10)2)13(4)17-16(18)15-6-5-7-19-15/h5-9,13H,1-4H3,(H,17,18)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]furan-2-carboxamide?
N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]furan-2-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 30402622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).