N-[2-(furan-2-yl)ethyl]-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide

C17H17NO3 — CID 81460232

IUPACN-[2-(furan-2-yl)ethyl]-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2ccco2)cc1C#CCO
InChIInChI=1S/C17H17NO3/c1-13-6-7-15(12-14(13)4-2-10-19)17(20)18-9-8-16-5-3-11-21-16/h3,5-7,11-12,19H,8-10H2,1H3,(H,18,20)
InChIKeyIIXQNEXEESLWQS-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.90
Rot. Bonds4

About N-[2-(furan-2-yl)ethyl]-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide

N-[2-(furan-2-yl)ethyl]-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide (PubChem CID 81460232) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide
PubChem CID81460232
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-[2-(furan-2-yl)ethyl]-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2ccco2)cc1C#CCO
InChIInChI=1S/C17H17NO3/c1-13-6-7-15(12-14(13)4-2-10-19)17(20)18-9-8-16-5-3-11-21-16/h3,5-7,11-12,19H,8-10H2,1H3,(H,18,20)
InChIKeyIIXQNEXEESLWQS-UHFFFAOYSA-N
XLogP1.90
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-yl)ethyl]-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
CID 81112689
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
ethyl 3-[[3-(3-hydroxyprop-1-ynyl)-4-methylbenzoyl]amino]propanoate
CID 81458920
5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 65309421
3-(3-hydroxyprop-1-ynyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide
CID 104764865
3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 81460917
N-[2-(furan-2-yl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62959712
3-(3-hydroxyprop-1-ynyl)-4-methyl-N-[(2-methyloxolan-2-yl)methyl]benzamide
CID 81460826
N-[2-(furan-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18126076
3-(3-aminoprop-1-ynyl)-4-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 81459366
N-[2-(furan-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 113221314
N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-2-methylbenzamide
CID 113400267

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide (CID 81460232) is N-[2-(furan-2-yl)ethyl]-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide is Cc1ccc(C(=O)NCCc2ccco2)cc1C#CCO.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide?
The InChIKey is IIXQNEXEESLWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-13-6-7-15(12-14(13)4-2-10-19)17(20)18-9-8-16-5-3-11-21-16/h3,5-7,11-12,19H,8-10H2,1H3,(H,18,20).
What are the key properties of N-[2-(furan-2-yl)ethyl]-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide?
N-[2-(furan-2-yl)ethyl]-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide has a molecular weight of 283.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide is sourced from PubChem (CID 81460232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).