N-[3-[bis(2,6-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide

C29H26N2O8 — CID 17274000

IUPACN-[3-[bis(2,6-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCOc1cccc(OC)c1C(=O)N(C(=O)c1c(OC)cccc1OC)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C29H26N2O8/c1-35-20-11-6-12-21(36-2)25(20)28(33)31(29(34)26-22(37-3)13-7-14-23(26)38-4)19-10-5-9-18(17-19)30-27(32)24-15-8-16-39-24/h5-17H,1-4H3,(H,30,32)
InChIKeyNSQFWWXTIGWIIJ-UHFFFAOYSA-N
MW530.53 g/mol
LogP5.05
Rot. Bonds9

About N-[3-[bis(2,6-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide

N-[3-[bis(2,6-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide (PubChem CID 17274000) has the molecular formula C29H26N2O8 and a molecular weight of 530.53 g/mol. Its IUPAC name is N-[3-[bis(2,6-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[bis(2,6-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
PubChem CID17274000
Molecular FormulaC29H26N2O8
Molecular Weight530.53 g/mol
Exact Mass530.17
IUPAC NameN-[3-[bis(2,6-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCOc1cccc(OC)c1C(=O)N(C(=O)c1c(OC)cccc1OC)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C29H26N2O8/c1-35-20-11-6-12-21(36-2)25(20)28(33)31(29(34)26-22(37-3)13-7-14-23(26)38-4)19-10-5-9-18(17-19)30-27(32)24-15-8-16-39-24/h5-17H,1-4H3,(H,30,32)
InChIKeyNSQFWWXTIGWIIJ-UHFFFAOYSA-N
XLogP5.05
TPSA116.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.53
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-4-methoxyphenyl)furan-2-carboxamide
CID 56690057
N-(3-ethyl-4-methoxyphenyl)furan-2-carboxamide
CID 110777193
N-(4-methoxy-3-propan-2-ylphenyl)furan-2-carboxamide
CID 110776754
N-[3-[[[N-[(2-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111216112
N-[3-[[[N-[(3,4-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 111201000
N-[3-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55616521
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(3-methoxyphenyl)butanediamide
CID 3173116
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide
CID 55874564
N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide
CID 648612
N-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide
CID 55505645
N-[3-[[[ethylamino-[(2-methoxyphenyl)methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111216115

Frequently Asked Questions

What is the IUPAC name of N-[3-[bis(2,6-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[bis(2,6-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide (CID 17274000) is N-[3-[bis(2,6-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[bis(2,6-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[bis(2,6-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide is COc1cccc(OC)c1C(=O)N(C(=O)c1c(OC)cccc1OC)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[bis(2,6-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is NSQFWWXTIGWIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O8/c1-35-20-11-6-12-21(36-2)25(20)28(33)31(29(34)26-22(37-3)13-7-14-23(26)38-4)19-10-5-9-18(17-19)30-27(32)24-15-8-16-39-24/h5-17H,1-4H3,(H,30,32).
What are the key properties of N-[3-[bis(2,6-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide?
N-[3-[bis(2,6-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 530.53 g/mol, XLogP of 5.05, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[bis(2,6-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 17274000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).