N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide

C22H22N2O5 — CID 9270038

IUPACN-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1OC
InChIInChI=1S/C22H22N2O5/c1-27-18-10-5-15(14-20(18)28-2)11-12-23-21(25)16-6-8-17(9-7-16)24-22(26)19-4-3-13-29-19/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMWWULKMUYSCYHR-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.52
Rot. Bonds8

About N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide

N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 9270038) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID9270038
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC NameN-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1OC
InChIInChI=1S/C22H22N2O5/c1-27-18-10-5-15(14-20(18)28-2)11-12-23-21(25)16-6-8-17(9-7-16)24-22(26)19-4-3-13-29-19/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMWWULKMUYSCYHR-UHFFFAOYSA-N
XLogP3.52
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]phenyl]furan-2-carboxamide
CID 32521036
N-[4-[[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111040354
N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 42014838
(2-methoxy-4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 51205552
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813
N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 142662106
N-[2-[[4-[(3,4-diethoxybenzoyl)amino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062797
N-[4-[(3-benzyl-4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27038930
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)urea
CID 108868367
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 109048227
N-[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 27781098
N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17397396

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide (CID 9270038) is N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide is COc1ccc(CCNC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1OC.
What is the InChIKey of N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is MWWULKMUYSCYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-27-18-10-5-15(14-20(18)28-2)11-12-23-21(25)16-6-8-17(9-7-16)24-22(26)19-4-3-13-29-19/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 9270038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).