N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(3-methoxyphenyl)butanediamide

C24H25N3O7 — CID 3173116

IUPACN'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(3-methoxyphenyl)butanediamide
SMILESCOc1cccc(NC(=O)CCC(=O)Nc2cc(OC)c(NC(=O)c3ccco3)cc2OC)c1
InChIInChI=1S/C24H25N3O7/c1-31-16-7-4-6-15(12-16)25-22(28)9-10-23(29)26-17-13-21(33-3)18(14-20(17)32-2)27-24(30)19-8-5-11-34-19/h4-8,11-14H,9-10H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyKUHHOXGLAFWRNC-UHFFFAOYSA-N
MW467.48 g/mol
LogP3.92
Rot. Bonds10

About N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(3-methoxyphenyl)butanediamide

N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(3-methoxyphenyl)butanediamide (PubChem CID 3173116) has the molecular formula C24H25N3O7 and a molecular weight of 467.48 g/mol. Its IUPAC name is N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(3-methoxyphenyl)butanediamide.

Molecular Properties

Compound NameN'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(3-methoxyphenyl)butanediamide
PubChem CID3173116
Molecular FormulaC24H25N3O7
Molecular Weight467.48 g/mol
Exact Mass467.17
IUPAC NameN'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(3-methoxyphenyl)butanediamide
SMILESCOc1cccc(NC(=O)CCC(=O)Nc2cc(OC)c(NC(=O)c3ccco3)cc2OC)c1
InChIInChI=1S/C24H25N3O7/c1-31-16-7-4-6-15(12-16)25-22(28)9-10-23(29)26-17-13-21(33-3)18(14-20(17)32-2)27-24(30)19-8-5-11-34-19/h4-8,11-14H,9-10H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyKUHHOXGLAFWRNC-UHFFFAOYSA-N
XLogP3.92
TPSA128.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(4-methoxyphenyl)butanediamide
CID 4999318
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(pyridin-3-ylmethyl)butanediamide
CID 1139136
N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide
CID 39193182
N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide
CID 648612
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 3998206
N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 1047583
N-[5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 9324992
N-[4-[3-(3,5-dimethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide
CID 42014719
N-[4-methoxy-2-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 9324966
5-(furan-2-yl)-N-(3-methoxyphenyl)furan-2-carboxamide
CID 71690130
N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 3161355
N-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide
CID 3169047

Frequently Asked Questions

What is the IUPAC name of N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(3-methoxyphenyl)butanediamide?
The IUPAC name of N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(3-methoxyphenyl)butanediamide (CID 3173116) is N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(3-methoxyphenyl)butanediamide.
What is the SMILES notation for N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(3-methoxyphenyl)butanediamide?
The canonical SMILES for N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(3-methoxyphenyl)butanediamide is COc1cccc(NC(=O)CCC(=O)Nc2cc(OC)c(NC(=O)c3ccco3)cc2OC)c1.
What is the InChIKey of N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(3-methoxyphenyl)butanediamide?
The InChIKey is KUHHOXGLAFWRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O7/c1-31-16-7-4-6-15(12-16)25-22(28)9-10-23(29)26-17-13-21(33-3)18(14-20(17)32-2)27-24(30)19-8-5-11-34-19/h4-8,11-14H,9-10H2,1-3H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(3-methoxyphenyl)butanediamide?
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(3-methoxyphenyl)butanediamide has a molecular weight of 467.48 g/mol, XLogP of 3.92, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(3-methoxyphenyl)butanediamide is sourced from PubChem (CID 3173116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).