N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide

C14H15NO3 — CID 82118234

IUPACN-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide
SMILESCC(CO)NC(=O)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C14H15NO3/c1-10(9-16)15-14(17)13-8-7-12(18-13)11-5-3-2-4-6-11/h2-8,10,16H,9H2,1H3,(H,15,17)
InChIKeyMMYVRTUKLDFZTP-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.06
Rot. Bonds4

About N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide

N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide (PubChem CID 82118234) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide
PubChem CID82118234
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC NameN-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide
SMILESCC(CO)NC(=O)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C14H15NO3/c1-10(9-16)15-14(17)13-8-7-12(18-13)11-5-3-2-4-6-11/h2-8,10,16H,9H2,1H3,(H,15,17)
InChIKeyMMYVRTUKLDFZTP-UHFFFAOYSA-N
XLogP2.06
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide (CID 82118234) is N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide is CC(CO)NC(=O)c1ccc(-c2ccccc2)o1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide?
The InChIKey is MMYVRTUKLDFZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10(9-16)15-14(17)13-8-7-12(18-13)11-5-3-2-4-6-11/h2-8,10,16H,9H2,1H3,(H,15,17).
What are the key properties of N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide?
N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide is sourced from PubChem (CID 82118234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).