N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]furan-2-carboxamide

C16H18N2O5 — CID 2526259

IUPACN-[3-(2,4-dimethoxyanilino)-3-oxopropyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)CCNC(=O)c2ccco2)c(OC)c1
InChIInChI=1S/C16H18N2O5/c1-21-11-5-6-12(14(10-11)22-2)18-15(19)7-8-17-16(20)13-4-3-9-23-13/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyKPLKFMIPFJOATM-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.06
Rot. Bonds7

About N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]furan-2-carboxamide

N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]furan-2-carboxamide (PubChem CID 2526259) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2,4-dimethoxyanilino)-3-oxopropyl]furan-2-carboxamide
PubChem CID2526259
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC NameN-[3-(2,4-dimethoxyanilino)-3-oxopropyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)CCNC(=O)c2ccco2)c(OC)c1
InChIInChI=1S/C16H18N2O5/c1-21-11-5-6-12(14(10-11)22-2)18-15(19)7-8-17-16(20)13-4-3-9-23-13/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyKPLKFMIPFJOATM-UHFFFAOYSA-N
XLogP2.06
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxy-5-nitrophenyl)furan-2-carboxamide
CID 710698
4'-Methoxy-2-furanilide
CID 303388
1-(2-Furoyl)-4-(2-methoxyphenyl)piperazine
CID 595810
1-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 2955360
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2981070
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide
CID 3127685
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 10735128
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride
CID 44585363
Methyl 2-[4-(furan-2-carbonylamino)phenoxy]acetate
CID 892442
N-{2-methoxy-5-[(phenoxyacetyl)amino]phenyl}furan-2-carboxamide
CID 1093495
N-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethyl}furan-2-carboxamide
CID 1243336
Propanoic acid [4-[[2-furanyl(oxo)methyl]amino]phenyl] ester
CID 1250934

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]furan-2-carboxamide (CID 2526259) is N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]furan-2-carboxamide is COc1ccc(NC(=O)CCNC(=O)c2ccco2)c(OC)c1.
What is the InChIKey of N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]furan-2-carboxamide?
The InChIKey is KPLKFMIPFJOATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-21-11-5-6-12(14(10-11)22-2)18-15(19)7-8-17-16(20)13-4-3-9-23-13/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]furan-2-carboxamide?
N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]furan-2-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 2526259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).