N-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(E)-3-phenylprop-2-enyl]furan-2-carboxamide

C22H29N3O2 — CID 50983656

IUPACN-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(E)-3-phenylprop-2-enyl]furan-2-carboxamide
SMILESCCN(C/C=C/c1ccccc1)C(=O)c1ccc(CN2CCN(C)CC2)o1
InChIInChI=1S/C22H29N3O2/c1-3-25(13-7-10-19-8-5-4-6-9-19)22(26)21-12-11-20(27-21)18-24-16-14-23(2)15-17-24/h4-12H,3,13-18H2,1-2H3/b10-7+
InChIKeyPZLUBJWAIVKQCR-JXMROGBWSA-N
MW367.49 g/mol
LogP3.20
Rot. Bonds7

About N-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(E)-3-phenylprop-2-enyl]furan-2-carboxamide

N-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(E)-3-phenylprop-2-enyl]furan-2-carboxamide (PubChem CID 50983656) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(E)-3-phenylprop-2-enyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(E)-3-phenylprop-2-enyl]furan-2-carboxamide
PubChem CID50983656
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(E)-3-phenylprop-2-enyl]furan-2-carboxamide
SMILESCCN(C/C=C/c1ccccc1)C(=O)c1ccc(CN2CCN(C)CC2)o1
InChIInChI=1S/C22H29N3O2/c1-3-25(13-7-10-19-8-5-4-6-9-19)22(26)21-12-11-20(27-21)18-24-16-14-23(2)15-17-24/h4-12H,3,13-18H2,1-2H3/b10-7+
InChIKeyPZLUBJWAIVKQCR-JXMROGBWSA-N
XLogP3.20
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 20992392
N-ethyl-3-(1,2-oxazolidin-2-yl)-N-[(E)-3-phenylprop-2-enyl]propanamide
CID 50963327
5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid
CID 139348467
N-methyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]furan-2-carboxamide
CID 74232354
N-ethyl-N-(3-phenylprop-2-enyl)cyclopropanecarboxamide
CID 76600124
N-[[1-[[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylfuran-2-carboxamide
CID 42787167
N-[3-(4-hydroxyphenyl)propyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide
CID 74230046
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 91841784
N,N-diethyl-4-phenylbut-3-enamide
CID 71333088
N-[(E)-3-phenylprop-2-enyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide
CID 42697019
N-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide
CID 122692160
N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide
CID 46055527

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(E)-3-phenylprop-2-enyl]furan-2-carboxamide?
The IUPAC name of N-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(E)-3-phenylprop-2-enyl]furan-2-carboxamide (CID 50983656) is N-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(E)-3-phenylprop-2-enyl]furan-2-carboxamide.
What is the SMILES notation for N-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(E)-3-phenylprop-2-enyl]furan-2-carboxamide?
The canonical SMILES for N-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(E)-3-phenylprop-2-enyl]furan-2-carboxamide is CCN(C/C=C/c1ccccc1)C(=O)c1ccc(CN2CCN(C)CC2)o1.
What is the InChIKey of N-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(E)-3-phenylprop-2-enyl]furan-2-carboxamide?
The InChIKey is PZLUBJWAIVKQCR-JXMROGBWSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-25(13-7-10-19-8-5-4-6-9-19)22(26)21-12-11-20(27-21)18-24-16-14-23(2)15-17-24/h4-12H,3,13-18H2,1-2H3/b10-7+.
What are the key properties of N-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(E)-3-phenylprop-2-enyl]furan-2-carboxamide?
N-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(E)-3-phenylprop-2-enyl]furan-2-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(E)-3-phenylprop-2-enyl]furan-2-carboxamide is sourced from PubChem (CID 50983656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).