N-[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide

C26H27N3O7 — CID 55953436

IUPACN-[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)COc3cccc(NC(=O)c4ccco4)c3)CC2)c(OC)c1
InChIInChI=1S/C26H27N3O7/c1-33-19-8-9-21(23(16-19)34-2)26(32)29-12-10-28(11-13-29)24(30)17-36-20-6-3-5-18(15-20)27-25(31)22-7-4-14-35-22/h3-9,14-16H,10-13,17H2,1-2H3,(H,27,31)
InChIKeyKWIDTVNUYJBFQU-UHFFFAOYSA-N
MW493.52 g/mol
LogP2.91
Rot. Bonds8

About N-[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide

N-[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide (PubChem CID 55953436) has the molecular formula C26H27N3O7 and a molecular weight of 493.52 g/mol. Its IUPAC name is N-[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide
PubChem CID55953436
Molecular FormulaC26H27N3O7
Molecular Weight493.52 g/mol
Exact Mass493.18
IUPAC NameN-[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)COc3cccc(NC(=O)c4ccco4)c3)CC2)c(OC)c1
InChIInChI=1S/C26H27N3O7/c1-33-19-8-9-21(23(16-19)34-2)26(32)29-12-10-28(11-13-29)24(30)17-36-20-6-3-5-18(15-20)27-25(31)22-7-4-14-35-22/h3-9,14-16H,10-13,17H2,1-2H3,(H,27,31)
InChIKeyKWIDTVNUYJBFQU-UHFFFAOYSA-N
XLogP2.91
TPSA110.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]furan-2-carboxamide
CID 46407153
N-[3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55961197
2-[1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]piperidin-4-yl]acetic acid
CID 119178015
N-[3-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55616521
6-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174620
1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]pyrrolidine-3-carboxylic acid
CID 119354069
N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide
CID 55855668
N-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 91937739
2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 54790493
1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)ethanone
CID 55904195
1-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)urea
CID 55978483
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38910909

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide (CID 55953436) is N-[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide is COc1ccc(C(=O)N2CCN(C(=O)COc3cccc(NC(=O)c4ccco4)c3)CC2)c(OC)c1.
What is the InChIKey of N-[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The InChIKey is KWIDTVNUYJBFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O7/c1-33-19-8-9-21(23(16-19)34-2)26(32)29-12-10-28(11-13-29)24(30)17-36-20-6-3-5-18(15-20)27-25(31)22-7-4-14-35-22/h3-9,14-16H,10-13,17H2,1-2H3,(H,27,31).
What are the key properties of N-[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide?
N-[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide has a molecular weight of 493.52 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55953436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).