N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-hydroxy-3-methoxybenzamide

C20H24N2O4 — CID 50956569

IUPACN-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-hydroxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)C(C)(C)C)c(C)c2)ccc1O
InChIInChI=1S/C20H24N2O4/c1-12-10-14(7-8-15(12)22-19(25)20(2,3)4)21-18(24)13-6-9-16(23)17(11-13)26-5/h6-11,23H,1-5H3,(H,21,24)(H,22,25)
InChIKeyJLGPFNYCPOHMOV-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.95
Rot. Bonds4

About N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-hydroxy-3-methoxybenzamide

N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-hydroxy-3-methoxybenzamide (PubChem CID 50956569) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-hydroxy-3-methoxybenzamide
PubChem CID50956569
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-hydroxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)C(C)(C)C)c(C)c2)ccc1O
InChIInChI=1S/C20H24N2O4/c1-12-10-14(7-8-15(12)22-19(25)20(2,3)4)21-18(24)13-6-9-16(23)17(11-13)26-5/h6-11,23H,1-5H3,(H,21,24)(H,22,25)
InChIKeyJLGPFNYCPOHMOV-UHFFFAOYSA-N
XLogP3.95
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide
CID 29261071
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide
CID 61215739
3-[(dimethylamino)methyl]-N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]benzamide
CID 131941645
N-(3-fluoro-4-methoxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103951806
N-(2,4-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600823
N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide
CID 64781635
N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-methylpyrimidine-5-carboxamide
CID 131912526
(4-hydroxy-3-methoxybenzoyl)carbamic acid
CID 140993168
N-[5-(hydrazinecarbonyl)-2-methoxyphenyl]-2,2-dimethylpropanamide
CID 15509074
N-(3-amino-4-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79726156
N-(4-bromo-2-methylphenyl)-4-(2,2-dimethylpropanoylamino)benzamide
CID 1370379

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-hydroxy-3-methoxybenzamide?
The IUPAC name of N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-hydroxy-3-methoxybenzamide (CID 50956569) is N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-hydroxy-3-methoxybenzamide is COc1cc(C(=O)Nc2ccc(NC(=O)C(C)(C)C)c(C)c2)ccc1O.
What is the InChIKey of N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-hydroxy-3-methoxybenzamide?
The InChIKey is JLGPFNYCPOHMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-12-10-14(7-8-15(12)22-19(25)20(2,3)4)21-18(24)13-6-9-16(23)17(11-13)26-5/h6-11,23H,1-5H3,(H,21,24)(H,22,25).
What are the key properties of N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-hydroxy-3-methoxybenzamide?
N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-hydroxy-3-methoxybenzamide has a molecular weight of 356.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 50956569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).