N-[2-(furan-2-yl)-2-hydroxypropyl]-3-phenylmethoxypropanamide

C17H21NO4 — CID 111482708

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]-3-phenylmethoxypropanamide
SMILESCC(O)(CNC(=O)CCOCc1ccccc1)c1ccco1
InChIInChI=1S/C17H21NO4/c1-17(20,15-8-5-10-22-15)13-18-16(19)9-11-21-12-14-6-3-2-4-7-14/h2-8,10,20H,9,11-13H2,1H3,(H,18,19)
InChIKeyBOFITVFUOKFUIB-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.21
Rot. Bonds8

About N-[2-(furan-2-yl)-2-hydroxypropyl]-3-phenylmethoxypropanamide

N-[2-(furan-2-yl)-2-hydroxypropyl]-3-phenylmethoxypropanamide (PubChem CID 111482708) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]-3-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]-3-phenylmethoxypropanamide
PubChem CID111482708
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]-3-phenylmethoxypropanamide
SMILESCC(O)(CNC(=O)CCOCc1ccccc1)c1ccco1
InChIInChI=1S/C17H21NO4/c1-17(20,15-8-5-10-22-15)13-18-16(19)9-11-21-12-14-6-3-2-4-7-14/h2-8,10,20H,9,11-13H2,1H3,(H,18,19)
InChIKeyBOFITVFUOKFUIB-UHFFFAOYSA-N
XLogP2.21
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
CID 111481891
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111672857
4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide
CID 109379769
4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide
CID 111482755
2-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 71782547
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea
CID 95983781
N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide
CID 100701375
N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-phenyloxamide
CID 71782588
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-[4-(2-methylpropyl)phenyl]acetamide
CID 111481934
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea
CID 111478738

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-phenylmethoxypropanamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-phenylmethoxypropanamide (CID 111482708) is N-[2-(furan-2-yl)-2-hydroxypropyl]-3-phenylmethoxypropanamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]-3-phenylmethoxypropanamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]-3-phenylmethoxypropanamide is CC(O)(CNC(=O)CCOCc1ccccc1)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-phenylmethoxypropanamide?
The InChIKey is BOFITVFUOKFUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-17(20,15-8-5-10-22-15)13-18-16(19)9-11-21-12-14-6-3-2-4-7-14/h2-8,10,20H,9,11-13H2,1H3,(H,18,19).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-phenylmethoxypropanamide?
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-phenylmethoxypropanamide has a molecular weight of 303.36 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxypropyl]-3-phenylmethoxypropanamide is sourced from PubChem (CID 111482708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).