N-[4-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-2-methylphenyl]furan-2-carboxamide

C20H26N4O3 — CID 131924223

IUPACN-[4-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-2-methylphenyl]furan-2-carboxamide
SMILESCCN1CCN(CC(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)CC1
InChIInChI=1S/C20H26N4O3/c1-3-23-8-10-24(11-9-23)14-19(25)21-16-6-7-17(15(2)13-16)22-20(26)18-5-4-12-27-18/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyTUBLPRBAIUIPTC-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.42
Rot. Bonds6

About N-[4-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-2-methylphenyl]furan-2-carboxamide

N-[4-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-2-methylphenyl]furan-2-carboxamide (PubChem CID 131924223) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[4-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-2-methylphenyl]furan-2-carboxamide
PubChem CID131924223
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[4-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-2-methylphenyl]furan-2-carboxamide
SMILESCCN1CCN(CC(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)CC1
InChIInChI=1S/C20H26N4O3/c1-3-23-8-10-24(11-9-23)14-19(25)21-16-6-7-17(15(2)13-16)22-20(26)18-5-4-12-27-18/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyTUBLPRBAIUIPTC-UHFFFAOYSA-N
XLogP2.42
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide
CID 4221258
N-[2-methyl-4-(methylamino)phenyl]furan-2-carboxamide
CID 91677831
N-[4-(3-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide
CID 119743182
N-[4-(4-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide;hydrochloride
CID 119300225
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 858393
N-[2-methyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]phenyl]furan-2-carboxamide
CID 131908546
N-[5-[[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31315172
N-[2-methyl-4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1141339
N-[4-(cyclopentylcarbamoylamino)-2-methylphenyl]furan-2-carboxamide
CID 47069326
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 8932674
N-[2-methyl-4-[(1-phenylcyclopentanecarbonyl)amino]phenyl]furan-2-carboxamide
CID 28624250
N-[2-methyl-4-[(3-methylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 122132677

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-2-methylphenyl]furan-2-carboxamide (CID 131924223) is N-[4-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-2-methylphenyl]furan-2-carboxamide is CCN1CCN(CC(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)CC1.
What is the InChIKey of N-[4-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is TUBLPRBAIUIPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-3-23-8-10-24(11-9-23)14-19(25)21-16-6-7-17(15(2)13-16)22-20(26)18-5-4-12-27-18/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-[4-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-2-methylphenyl]furan-2-carboxamide?
N-[4-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 131924223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).