N-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide

C15H17NO2 — CID 959679

IUPACN-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C15H17NO2/c1-3-11(2)12-7-4-5-8-13(12)16-15(17)14-9-6-10-18-14/h4-11H,3H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyOEVGIRUIBFADBC-LLVKDONJSA-N
MW243.31 g/mol
LogP4.05
Rot. Bonds4

About N-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide

N-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide (PubChem CID 959679) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide
PubChem CID959679
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC NameN-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C15H17NO2/c1-3-11(2)12-7-4-5-8-13(12)16-15(17)14-9-6-10-18-14/h4-11H,3H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyOEVGIRUIBFADBC-LLVKDONJSA-N
XLogP4.05
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] furan-2-carboxylate
CID 7814303
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 7909110
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
N-[2-[[(2R)-2-phenylbutanoyl]amino]phenyl]furan-2-carboxamide
CID 839587
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-[2-[(2R)-butan-2-yl]phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 7449934
N-(2-butan-2-ylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6497480
N-[2-[(2R)-butan-2-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 7718787
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889
N-(2-butan-2-ylphenyl)prop-2-enamide
CID 60778016
N-[2-[(2-aminoacetyl)amino]phenyl]furan-2-carboxamide
CID 39184130

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide (CID 959679) is N-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide is CC[C@@H](C)c1ccccc1NC(=O)c1ccco1.
What is the InChIKey of N-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide?
The InChIKey is OEVGIRUIBFADBC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-11(2)12-7-4-5-8-13(12)16-15(17)14-9-6-10-18-14/h4-11H,3H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of N-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide?
N-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 959679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).