N-(2-hydroxy-2-phenylpropyl)-3-methylfuran-2-carboxamide

C15H17NO3 — CID 111335077

IUPACN-(2-hydroxy-2-phenylpropyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C15H17NO3/c1-11-8-9-19-13(11)14(17)16-10-15(2,18)12-6-4-3-5-7-12/h3-9,18H,10H2,1-2H3,(H,16,17)
InChIKeyNQTQQGVFFOXTPO-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.23
Rot. Bonds4

About N-(2-hydroxy-2-phenylpropyl)-3-methylfuran-2-carboxamide

N-(2-hydroxy-2-phenylpropyl)-3-methylfuran-2-carboxamide (PubChem CID 111335077) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-3-methylfuran-2-carboxamide
PubChem CID111335077
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C15H17NO3/c1-11-8-9-19-13(11)14(17)16-10-15(2,18)12-6-4-3-5-7-12/h3-9,18H,10H2,1-2H3,(H,16,17)
InChIKeyNQTQQGVFFOXTPO-UHFFFAOYSA-N
XLogP2.23
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-methylfuran-2-carboxamide
CID 99795330
N-(2-hydroxy-2-phenylpropyl)-2-methylbenzamide
CID 110663960
N-(2,2-difluoro-3-hydroxypropyl)-3-methylfuran-2-carboxamide
CID 104858004
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962
N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide
CID 111334967
3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62883833
N-(cyanomethyl)-3-methylfuran-2-carboxamide
CID 60893946
N-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 111335083
2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95368019
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylbenzamide
CID 121085663
N-(2-hydroxy-2-methylbutyl)-3-phenylfuran-2-carboxamide
CID 65114924
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-3-methylfuran-2-carboxamide (CID 111335077) is N-(2-hydroxy-2-phenylpropyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NCC(C)(O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-3-methylfuran-2-carboxamide?
The InChIKey is NQTQQGVFFOXTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11-8-9-19-13(11)14(17)16-10-15(2,18)12-6-4-3-5-7-12/h3-9,18H,10H2,1-2H3,(H,16,17).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-3-methylfuran-2-carboxamide?
N-(2-hydroxy-2-phenylpropyl)-3-methylfuran-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 111335077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).