N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide

C21H28N4O3 — CID 55843018

IUPACN-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
SMILESCCN1CCN(Cc2ccccc2CNC(=O)CNC(=O)c2ccoc2)CC1
InChIInChI=1S/C21H28N4O3/c1-2-24-8-10-25(11-9-24)15-18-6-4-3-5-17(18)13-22-20(26)14-23-21(27)19-7-12-28-16-19/h3-7,12,16H,2,8-11,13-15H2,1H3,(H,22,26)(H,23,27)
InChIKeyXKVTUWTUYNCVPV-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.46
Rot. Bonds8

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

N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide (PubChem CID 55843018) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
PubChem CID55843018
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
SMILESCCN1CCN(Cc2ccccc2CNC(=O)CNC(=O)c2ccoc2)CC1
InChIInChI=1S/C21H28N4O3/c1-2-24-8-10-25(11-9-24)15-18-6-4-3-5-17(18)13-22-20(26)14-23-21(27)19-7-12-28-16-19/h3-7,12,16H,2,8-11,13-15H2,1H3,(H,22,26)(H,23,27)
InChIKeyXKVTUWTUYNCVPV-UHFFFAOYSA-N
XLogP1.46
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 55842889
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119901686
N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481147
N-[2-[[3-(azepan-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
CID 49086013
3-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 9142669
4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481299
2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide
CID 55826262
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-iodobenzamide
CID 55664630
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]naphthalene-2-carboxamide
CID 24551039
4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55396567
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 47029367
3-bromo-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-5-fluorobenzamide
CID 55715109

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide (CID 55843018) is N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide is CCN1CCN(Cc2ccccc2CNC(=O)CNC(=O)c2ccoc2)CC1.
What is the InChIKey of N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide?
The InChIKey is XKVTUWTUYNCVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-2-24-8-10-25(11-9-24)15-18-6-4-3-5-17(18)13-22-20(26)14-23-21(27)19-7-12-28-16-19/h3-7,12,16H,2,8-11,13-15H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide?
N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 55843018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).