N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide

C22H22N2O5 — CID 151777753

IUPACN-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(C(=O)N(C)C)cc2)o1
InChIInChI=1S/C22H22N2O5/c1-14-4-10-18(29-14)13-24(22(28)19-11-9-17(25)12-20(19)26)16-7-5-15(6-8-16)21(27)23(2)3/h4-12,25-26H,13H2,1-3H3
InChIKeyRTYCQDBBCMTUFF-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.55
Rot. Bonds5

About N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide

N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 151777753) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID151777753
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC NameN-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(C(=O)N(C)C)cc2)o1
InChIInChI=1S/C22H22N2O5/c1-14-4-10-18(29-14)13-24(22(28)19-11-9-17(25)12-20(19)26)16-7-5-15(6-8-16)21(27)23(2)3/h4-12,25-26H,13H2,1-3H3
InChIKeyRTYCQDBBCMTUFF-UHFFFAOYSA-N
XLogP3.55
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 151777753) is N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide is Cc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(C(=O)N(C)C)cc2)o1.
What is the InChIKey of N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is RTYCQDBBCMTUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-14-4-10-18(29-14)13-24(22(28)19-11-9-17(25)12-20(19)26)16-7-5-15(6-8-16)21(27)23(2)3/h4-12,25-26H,13H2,1-3H3.
What are the key properties of N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide?
N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 394.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 151777753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).