N-(1-hydroxypentan-3-yl)-3-phenylfuran-2-carboxamide

C16H19NO3 — CID 109479214

IUPACN-(1-hydroxypentan-3-yl)-3-phenylfuran-2-carboxamide
SMILESCCC(CCO)NC(=O)c1occc1-c1ccccc1
InChIInChI=1S/C16H19NO3/c1-2-13(8-10-18)17-16(19)15-14(9-11-20-15)12-6-4-3-5-7-12/h3-7,9,11,13,18H,2,8,10H2,1H3,(H,17,19)
InChIKeyKVYUSTRGDUVQLY-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.84
Rot. Bonds6

About N-(1-hydroxypentan-3-yl)-3-phenylfuran-2-carboxamide

N-(1-hydroxypentan-3-yl)-3-phenylfuran-2-carboxamide (PubChem CID 109479214) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-3-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-3-phenylfuran-2-carboxamide
PubChem CID109479214
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-(1-hydroxypentan-3-yl)-3-phenylfuran-2-carboxamide
SMILESCCC(CCO)NC(=O)c1occc1-c1ccccc1
InChIInChI=1S/C16H19NO3/c1-2-13(8-10-18)17-16(19)15-14(9-11-20-15)12-6-4-3-5-7-12/h3-7,9,11,13,18H,2,8,10H2,1H3,(H,17,19)
InChIKeyKVYUSTRGDUVQLY-UHFFFAOYSA-N
XLogP2.84
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
CID 61152901
N-(3-hydroxypentyl)-3-phenylfuran-2-carboxamide
CID 115703850
N-(3-methylbutyl)-3-phenylfuran-2-carboxamide
CID 35072143
N-(1-cyclopropylethyl)-3-phenylfuran-2-carboxamide
CID 47012609
N-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide
CID 97247610
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide
CID 142753560
(2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
CID 107832817
N-(4-ethyl-1H-pyrazol-5-yl)-3-phenylfuran-2-carboxamide
CID 104620225
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-phenylfuran-2-carboxamide
CID 107847366
N-[4-(oxolan-2-yl)butan-2-yl]-3-phenylfuran-2-carboxamide
CID 47091747
N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3-phenylfuran-2-carboxamide
CID 94798688
N-(2-hydroxy-2-methylbutyl)-3-phenylfuran-2-carboxamide
CID 65114924

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-3-phenylfuran-2-carboxamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-3-phenylfuran-2-carboxamide (CID 109479214) is N-(1-hydroxypentan-3-yl)-3-phenylfuran-2-carboxamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-3-phenylfuran-2-carboxamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-3-phenylfuran-2-carboxamide is CCC(CCO)NC(=O)c1occc1-c1ccccc1.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-3-phenylfuran-2-carboxamide?
The InChIKey is KVYUSTRGDUVQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-2-13(8-10-18)17-16(19)15-14(9-11-20-15)12-6-4-3-5-7-12/h3-7,9,11,13,18H,2,8,10H2,1H3,(H,17,19).
What are the key properties of N-(1-hydroxypentan-3-yl)-3-phenylfuran-2-carboxamide?
N-(1-hydroxypentan-3-yl)-3-phenylfuran-2-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-3-phenylfuran-2-carboxamide is sourced from PubChem (CID 109479214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).