N-[4-(dimethylcarbamoyl)phenyl]-N-(2,2-dimethylpropyl)-2,4-dihydroxybenzamide

C21H26N2O4 — CID 150821022

IUPACN-[4-(dimethylcarbamoyl)phenyl]-N-(2,2-dimethylpropyl)-2,4-dihydroxybenzamide
SMILESCN(C)C(=O)c1ccc(N(CC(C)(C)C)C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C21H26N2O4/c1-21(2,3)13-23(20(27)17-11-10-16(24)12-18(17)25)15-8-6-14(7-9-15)19(26)22(4)5/h6-12,24-25H,13H2,1-5H3
InChIKeyKJXWBDJAUBXVCV-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.49
Rot. Bonds4

About N-[4-(dimethylcarbamoyl)phenyl]-N-(2,2-dimethylpropyl)-2,4-dihydroxybenzamide

N-[4-(dimethylcarbamoyl)phenyl]-N-(2,2-dimethylpropyl)-2,4-dihydroxybenzamide (PubChem CID 150821022) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[4-(dimethylcarbamoyl)phenyl]-N-(2,2-dimethylpropyl)-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[4-(dimethylcarbamoyl)phenyl]-N-(2,2-dimethylpropyl)-2,4-dihydroxybenzamide
PubChem CID150821022
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[4-(dimethylcarbamoyl)phenyl]-N-(2,2-dimethylpropyl)-2,4-dihydroxybenzamide
SMILESCN(C)C(=O)c1ccc(N(CC(C)(C)C)C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C21H26N2O4/c1-21(2,3)13-23(20(27)17-11-10-16(24)12-18(17)25)15-8-6-14(7-9-15)19(26)22(4)5/h6-12,24-25H,13H2,1-5H3
InChIKeyKJXWBDJAUBXVCV-UHFFFAOYSA-N
XLogP3.49
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-Dihydroxy-5-isopropyl-phenyl)[5-(4-methyl-piperazin-1-yl)-1,3-di-hydro-isoindol-2-yl]-methanone
CID 11955634
Methanone, (2,4-dihydroxyphenyl)[4-(dimethylamino)phenyl]-
CID 825840
(2E)-1-(2,4-dihydroxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 5815007
5-(2-Hydroxy-4-methoxybenzoyl)-1-(3-methylphenyl)pyridin-2-one
CID 44818098
5-(2-Hydroxy-4-methoxybenzoyl)-1-(o-tolyl)pyridin-2(1h)-one
CID 44818099
2,4-dihydroxy-N-(4-methoxyphenyl)-N-methylbenzamide
CID 67932020
(2,4-dihydroxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 117967655
(2,4-dihydroxyphenyl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 117967696
(2,4-dihydroxyphenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 117968039
N-benzyl-2,4-dihydroxy-N-phenylbenzamide
CID 117972616
N-benzyl-N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxybenzamide
CID 117972799
[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-3-hydroxyphenyl] pyrrolidine-1-carboxylate
CID 132819950

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-N-(2,2-dimethylpropyl)-2,4-dihydroxybenzamide?
The IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-N-(2,2-dimethylpropyl)-2,4-dihydroxybenzamide (CID 150821022) is N-[4-(dimethylcarbamoyl)phenyl]-N-(2,2-dimethylpropyl)-2,4-dihydroxybenzamide.
What is the SMILES notation for N-[4-(dimethylcarbamoyl)phenyl]-N-(2,2-dimethylpropyl)-2,4-dihydroxybenzamide?
The canonical SMILES for N-[4-(dimethylcarbamoyl)phenyl]-N-(2,2-dimethylpropyl)-2,4-dihydroxybenzamide is CN(C)C(=O)c1ccc(N(CC(C)(C)C)C(=O)c2ccc(O)cc2O)cc1.
What is the InChIKey of N-[4-(dimethylcarbamoyl)phenyl]-N-(2,2-dimethylpropyl)-2,4-dihydroxybenzamide?
The InChIKey is KJXWBDJAUBXVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-21(2,3)13-23(20(27)17-11-10-16(24)12-18(17)25)15-8-6-14(7-9-15)19(26)22(4)5/h6-12,24-25H,13H2,1-5H3.
What are the key properties of N-[4-(dimethylcarbamoyl)phenyl]-N-(2,2-dimethylpropyl)-2,4-dihydroxybenzamide?
N-[4-(dimethylcarbamoyl)phenyl]-N-(2,2-dimethylpropyl)-2,4-dihydroxybenzamide has a molecular weight of 370.45 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylcarbamoyl)phenyl]-N-(2,2-dimethylpropyl)-2,4-dihydroxybenzamide is sourced from PubChem (CID 150821022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).