N-[2-(furan-2-yl)-2-hydroxyethyl]-4-naphthalen-1-yloxybutanamide

C20H21NO4 — CID 110891752

IUPACN-[2-(furan-2-yl)-2-hydroxyethyl]-4-naphthalen-1-yloxybutanamide
SMILESO=C(CCCOc1cccc2ccccc12)NCC(O)c1ccco1
InChIInChI=1S/C20H21NO4/c22-17(19-10-4-12-25-19)14-21-20(23)11-5-13-24-18-9-3-7-15-6-1-2-8-16(15)18/h1-4,6-10,12,17,22H,5,11,13-14H2,(H,21,23)
InChIKeyHAXFDQBCBKMOAZ-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.44
Rot. Bonds8

About N-[2-(furan-2-yl)-2-hydroxyethyl]-4-naphthalen-1-yloxybutanamide

N-[2-(furan-2-yl)-2-hydroxyethyl]-4-naphthalen-1-yloxybutanamide (PubChem CID 110891752) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxyethyl]-4-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxyethyl]-4-naphthalen-1-yloxybutanamide
PubChem CID110891752
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC NameN-[2-(furan-2-yl)-2-hydroxyethyl]-4-naphthalen-1-yloxybutanamide
SMILESO=C(CCCOc1cccc2ccccc12)NCC(O)c1ccco1
InChIInChI=1S/C20H21NO4/c22-17(19-10-4-12-25-19)14-21-20(23)11-5-13-24-18-9-3-7-15-6-1-2-8-16(15)18/h1-4,6-10,12,17,22H,5,11,13-14H2,(H,21,23)
InChIKeyHAXFDQBCBKMOAZ-UHFFFAOYSA-N
XLogP3.44
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.44
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

4-(2,3-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide
CID 86850793
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide
CID 110899101
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide
CID 111102313
2-(2-ethylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 86981092
6-naphthalen-1-yloxyhex-1-en-3-one
CID 134187093
N-[1-(furan-2-yl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 60594643
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenoxy)butanamide
CID 134018677
(2S)-2-(4-naphthalen-1-yloxybutanoylamino)propanoic acid
CID 119238607
5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]pentanamide
CID 87016967
N-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide
CID 46469275
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(1H-indol-3-yl)propanamide
CID 110889323
4-(2-bromophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 51952483

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-4-naphthalen-1-yloxybutanamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-4-naphthalen-1-yloxybutanamide (CID 110891752) is N-[2-(furan-2-yl)-2-hydroxyethyl]-4-naphthalen-1-yloxybutanamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxyethyl]-4-naphthalen-1-yloxybutanamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxyethyl]-4-naphthalen-1-yloxybutanamide is O=C(CCCOc1cccc2ccccc12)NCC(O)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxyethyl]-4-naphthalen-1-yloxybutanamide?
The InChIKey is HAXFDQBCBKMOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c22-17(19-10-4-12-25-19)14-21-20(23)11-5-13-24-18-9-3-7-15-6-1-2-8-16(15)18/h1-4,6-10,12,17,22H,5,11,13-14H2,(H,21,23).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxyethyl]-4-naphthalen-1-yloxybutanamide?
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-naphthalen-1-yloxybutanamide has a molecular weight of 339.39 g/mol, XLogP of 3.44, 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-hydroxyethyl]-4-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 110891752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).