N-benzyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide

C17H20N2O3 — CID 4257361

IUPACN-benzyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide
SMILESCCCNC(=O)CN(Cc1ccccc1)C(=O)c1ccoc1
InChIInChI=1S/C17H20N2O3/c1-2-9-18-16(20)12-19(11-14-6-4-3-5-7-14)17(21)15-8-10-22-13-15/h3-8,10,13H,2,9,11-12H2,1H3,(H,18,20)
InChIKeyOIXYVTPAZUKQES-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.45
Rot. Bonds7

About N-benzyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide

N-benzyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide (PubChem CID 4257361) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-benzyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide
PubChem CID4257361
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-benzyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide
SMILESCCCNC(=O)CN(Cc1ccccc1)C(=O)c1ccoc1
InChIInChI=1S/C17H20N2O3/c1-2-9-18-16(20)12-19(11-14-6-4-3-5-7-14)17(21)15-8-10-22-13-15/h3-8,10,13H,2,9,11-12H2,1H3,(H,18,20)
InChIKeyOIXYVTPAZUKQES-UHFFFAOYSA-N
XLogP2.45
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]furan-3-carboxamide
CID 1030553
N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-3-carboxamide
CID 815108
N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]furan-3-carboxamide
CID 42780168
ethyl 2-[benzyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetate
CID 113227718
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
N-[(3-aminophenyl)methyl]-N-propylfuran-3-carboxamide
CID 43459665
2-[(3,5-dimethoxyphenyl)methyl-(furan-3-carbonyl)amino]acetic acid
CID 119197732
(2S)-2-[[2-[benzoyl(benzyl)amino]acetyl]amino]propanoic acid
CID 157056155
N-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 42779623
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 1030756
3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050312
N-[3-(benzylamino)-3-oxopropyl]-N-(2-methoxyethyl)furan-3-carboxamide
CID 42779663

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide?
The IUPAC name of N-benzyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide (CID 4257361) is N-benzyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide?
The canonical SMILES for N-benzyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide is CCCNC(=O)CN(Cc1ccccc1)C(=O)c1ccoc1.
What is the InChIKey of N-benzyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide?
The InChIKey is OIXYVTPAZUKQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-9-18-16(20)12-19(11-14-6-4-3-5-7-14)17(21)15-8-10-22-13-15/h3-8,10,13H,2,9,11-12H2,1H3,(H,18,20).
What are the key properties of N-benzyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide?
N-benzyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide is sourced from PubChem (CID 4257361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).