N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-methoxy-4-methylbenzamide

C21H21N3O4 — CID 35338148

IUPACN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)ccc1C
InChIInChI=1S/C21H21N3O4/c1-14-5-6-15(12-19(14)27-2)20(25)23-16-7-9-17(10-8-16)24-21(26)22-13-18-4-3-11-28-18/h3-12H,13H2,1-2H3,(H,23,25)(H2,22,24,26)
InChIKeyIBELIWJUKDJUCD-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.17
Rot. Bonds6

About N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-methoxy-4-methylbenzamide

N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-methoxy-4-methylbenzamide (PubChem CID 35338148) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-methoxy-4-methylbenzamide
PubChem CID35338148
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)ccc1C
InChIInChI=1S/C21H21N3O4/c1-14-5-6-15(12-19(14)27-2)20(25)23-16-7-9-17(10-8-16)24-21(26)22-13-18-4-3-11-28-18/h3-12H,13H2,1-2H3,(H,23,25)(H2,22,24,26)
InChIKeyIBELIWJUKDJUCD-UHFFFAOYSA-N
XLogP4.17
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 28638324
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-6-methylpyridine-3-carboxamide
CID 29367485
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-methyl-4-nitrobenzamide
CID 46525396
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 55527410
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 134050707
3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746
4-(difluoromethoxy)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 35335808
N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]-3-methylbenzamide
CID 134050575
ethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate
CID 109054059
N-[4-(hydroxymethyl)phenyl]-3-methoxy-4-methylbenzamide
CID 64793166
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 29367445

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-methoxy-4-methylbenzamide (CID 35338148) is N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)ccc1C.
What is the InChIKey of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-methoxy-4-methylbenzamide?
The InChIKey is IBELIWJUKDJUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14-5-6-15(12-19(14)27-2)20(25)23-16-7-9-17(10-8-16)24-21(26)22-13-18-4-3-11-28-18/h3-12H,13H2,1-2H3,(H,23,25)(H2,22,24,26).
What are the key properties of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-methoxy-4-methylbenzamide?
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-methoxy-4-methylbenzamide has a molecular weight of 379.42 g/mol, XLogP of 4.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 35338148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).