3-butoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide

C21H28N2O3 — CID 45133052

IUPAC3-butoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCCCCOc1cccc(C(=O)NCC(c2ccco2)N2CCCC2)c1
InChIInChI=1S/C21H28N2O3/c1-2-3-13-25-18-9-6-8-17(15-18)21(24)22-16-19(20-10-7-14-26-20)23-11-4-5-12-23/h6-10,14-15,19H,2-5,11-13,16H2,1H3,(H,22,24)
InChIKeyUGIKWMOEICEVML-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.03
Rot. Bonds9

About 3-butoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide

3-butoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 45133052) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-butoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3-butoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID45133052
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name3-butoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCCCCOc1cccc(C(=O)NCC(c2ccco2)N2CCCC2)c1
InChIInChI=1S/C21H28N2O3/c1-2-3-13-25-18-9-6-8-17(15-18)21(24)22-16-19(20-10-7-14-26-20)23-11-4-5-12-23/h6-10,14-15,19H,2-5,11-13,16H2,1H3,(H,22,24)
InChIKeyUGIKWMOEICEVML-UHFFFAOYSA-N
XLogP4.03
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 112503347
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3-butoxybenzamide
CID 35042150
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4807732
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-propoxybenzamide
CID 43842968
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 25331234
3-butoxy-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 35041734
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 4807751
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-propoxybenzamide;hydrochloride
CID 52985153
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-3-propoxybenzamide
CID 17012220
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methylphenoxy)propanamide
CID 2468270

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 3-butoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide (CID 45133052) is 3-butoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 3-butoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 3-butoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide is CCCCOc1cccc(C(=O)NCC(c2ccco2)N2CCCC2)c1.
What is the InChIKey of 3-butoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is UGIKWMOEICEVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-2-3-13-25-18-9-6-8-17(15-18)21(24)22-16-19(20-10-7-14-26-20)23-11-4-5-12-23/h6-10,14-15,19H,2-5,11-13,16H2,1H3,(H,22,24).
What are the key properties of 3-butoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
3-butoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 356.47 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 45133052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).