5-methyl-N-[4-(methylcarbamoylamino)phenyl]furan-2-carboxamide

C14H15N3O3 — CID 52555638

IUPAC5-methyl-N-[4-(methylcarbamoylamino)phenyl]furan-2-carboxamide
SMILESCNC(=O)Nc1ccc(NC(=O)c2ccc(C)o2)cc1
InChIInChI=1S/C14H15N3O3/c1-9-3-8-12(20-9)13(18)16-10-4-6-11(7-5-10)17-14(19)15-2/h3-8H,1-2H3,(H,16,18)(H2,15,17,19)
InChIKeyRHBSAXXYOQUMFV-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.59
Rot. Bonds3

About 5-methyl-N-[4-(methylcarbamoylamino)phenyl]furan-2-carboxamide

5-methyl-N-[4-(methylcarbamoylamino)phenyl]furan-2-carboxamide (PubChem CID 52555638) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-methyl-N-[4-(methylcarbamoylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(methylcarbamoylamino)phenyl]furan-2-carboxamide
PubChem CID52555638
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-methyl-N-[4-(methylcarbamoylamino)phenyl]furan-2-carboxamide
SMILESCNC(=O)Nc1ccc(NC(=O)c2ccc(C)o2)cc1
InChIInChI=1S/C14H15N3O3/c1-9-3-8-12(20-9)13(18)16-10-4-6-11(7-5-10)17-14(19)15-2/h3-8H,1-2H3,(H,16,18)(H2,15,17,19)
InChIKeyRHBSAXXYOQUMFV-UHFFFAOYSA-N
XLogP2.59
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-pyridin-4-ylfuran-2-carboxamide
CID 897103
N-[4-(1-hydroxyethyl)phenyl]-5-methylfuran-2-carboxamide
CID 43508359
5-methyl-N-[4-(propylaminomethyl)phenyl]furan-2-carboxamide
CID 106910296
5-methyl-N-(phenylcarbamoyl)furan-2-carboxamide
CID 2753284
N-(3,4-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 844275
N-[4-(dimethylcarbamoyl)phenyl]-5-methylfuran-2-carboxamide
CID 17394257
N-[4-[acetyl(methyl)amino]phenyl]-5-methylfuran-2-carboxamide
CID 17173460
N-[4-(2,2-dicyanoethenylamino)phenyl]-5-methylfuran-2-carboxamide
CID 168542050
N-(6-bromo-3-pyridinyl)-5-methylfuran-2-carboxamide
CID 103789352
N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-2-carboxamide
CID 168597625
1-(4-ethylphenyl)-3-methylurea
CID 54250791
N-(3-chloro-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 844340

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(methylcarbamoylamino)phenyl]furan-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-(methylcarbamoylamino)phenyl]furan-2-carboxamide (CID 52555638) is 5-methyl-N-[4-(methylcarbamoylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(methylcarbamoylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(methylcarbamoylamino)phenyl]furan-2-carboxamide is CNC(=O)Nc1ccc(NC(=O)c2ccc(C)o2)cc1.
What is the InChIKey of 5-methyl-N-[4-(methylcarbamoylamino)phenyl]furan-2-carboxamide?
The InChIKey is RHBSAXXYOQUMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-3-8-12(20-9)13(18)16-10-4-6-11(7-5-10)17-14(19)15-2/h3-8H,1-2H3,(H,16,18)(H2,15,17,19).
What are the key properties of 5-methyl-N-[4-(methylcarbamoylamino)phenyl]furan-2-carboxamide?
5-methyl-N-[4-(methylcarbamoylamino)phenyl]furan-2-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(methylcarbamoylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 52555638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).