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

C22H23N3O5 — CID 32521036

IUPACN-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]phenyl]furan-2-carboxamide
SMILESCOc1ccc(CCNC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1OC
InChIInChI=1S/C22H23N3O5/c1-28-18-10-5-15(14-20(18)29-2)11-12-23-22(27)25-17-8-6-16(7-9-17)24-21(26)19-4-3-13-30-19/h3-10,13-14H,11-12H2,1-2H3,(H,24,26)(H2,23,25,27)
InChIKeyVPYCVMZKSGXEJG-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.91
Rot. Bonds8

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

N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]phenyl]furan-2-carboxamide (PubChem CID 32521036) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]phenyl]furan-2-carboxamide
PubChem CID32521036
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]phenyl]furan-2-carboxamide
SMILESCOc1ccc(CCNC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1OC
InChIInChI=1S/C22H23N3O5/c1-28-18-10-5-15(14-20(18)29-2)11-12-23-22(27)25-17-8-6-16(7-9-17)24-21(26)19-4-3-13-30-19/h3-10,13-14H,11-12H2,1-2H3,(H,24,26)(H2,23,25,27)
InChIKeyVPYCVMZKSGXEJG-UHFFFAOYSA-N
XLogP3.91
TPSA101.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 9270038
N-[4-[[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111040354
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)urea
CID 108868367
N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 38205482
4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoic acid
CID 108891296
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
CID 60544439
1-(3-bromo-4-methylphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108989692
1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea
CID 48559749
1-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)urea
CID 971429
1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108867817
1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 51290602
1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 32523814

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]phenyl]furan-2-carboxamide (CID 32521036) is N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]phenyl]furan-2-carboxamide is COc1ccc(CCNC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1OC.
What is the InChIKey of N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]phenyl]furan-2-carboxamide?
The InChIKey is VPYCVMZKSGXEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-28-18-10-5-15(14-20(18)29-2)11-12-23-22(27)25-17-8-6-16(7-9-17)24-21(26)19-4-3-13-30-19/h3-10,13-14H,11-12H2,1-2H3,(H,24,26)(H2,23,25,27).
What are the key properties of N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]phenyl]furan-2-carboxamide?
N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]phenyl]furan-2-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 3.91, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 32521036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).