N-benzyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]furan-3-carboxamide

C20H25N3O3 — CID 1030553

IUPACN-benzyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]furan-3-carboxamide
SMILESCCN1CCN(C(=O)CN(Cc2ccccc2)C(=O)c2ccoc2)CC1
InChIInChI=1S/C20H25N3O3/c1-2-21-9-11-22(12-10-21)19(24)15-23(14-17-6-4-3-5-7-17)20(25)18-8-13-26-16-18/h3-8,13,16H,2,9-12,14-15H2,1H3
InChIKeyPGWOXEZFARJPQT-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.09
Rot. Bonds6

About N-benzyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]furan-3-carboxamide

N-benzyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]furan-3-carboxamide (PubChem CID 1030553) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-benzyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]furan-3-carboxamide
PubChem CID1030553
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-benzyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]furan-3-carboxamide
SMILESCCN1CCN(C(=O)CN(Cc2ccccc2)C(=O)c2ccoc2)CC1
InChIInChI=1S/C20H25N3O3/c1-2-21-9-11-22(12-10-21)19(24)15-23(14-17-6-4-3-5-7-17)20(25)18-8-13-26-16-18/h3-8,13,16H,2,9-12,14-15H2,1H3
InChIKeyPGWOXEZFARJPQT-UHFFFAOYSA-N
XLogP2.09
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-3-carboxamide
CID 815108
N-benzyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide
CID 4257361
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 1030756
N-benzyl-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]furan-3-carboxamide
CID 1030764
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 1030489
N-benzyl-N,4-diethylpiperazine-1-carboxamide
CID 108988476
N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]furan-3-carboxamide
CID 42780168
3-[benzyl(ethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017462
2-[(3,5-dimethoxyphenyl)methyl-(furan-3-carbonyl)amino]acetic acid
CID 119197732
ethyl 2-[benzyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetate
CID 113227718
N-benzyl-2-(4-ethylpiperazin-1-yl)-N-methyl-2-oxoacetamide
CID 108518814
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 1026347

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of N-benzyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]furan-3-carboxamide (CID 1030553) is N-benzyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]furan-3-carboxamide is CCN1CCN(C(=O)CN(Cc2ccccc2)C(=O)c2ccoc2)CC1.
What is the InChIKey of N-benzyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]furan-3-carboxamide?
The InChIKey is PGWOXEZFARJPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-2-21-9-11-22(12-10-21)19(24)15-23(14-17-6-4-3-5-7-17)20(25)18-8-13-26-16-18/h3-8,13,16H,2,9-12,14-15H2,1H3.
What are the key properties of N-benzyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]furan-3-carboxamide?
N-benzyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]furan-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 1030553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).