(3,4-dimethylphenyl)-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]carbamic acid

C17H18N2O4 — CID 87884333

IUPAC(3,4-dimethylphenyl)-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]carbamic acid
SMILESCc1ccc(N(C(=O)O)c2ccc(CC(=O)NO)cc2)cc1C
InChIInChI=1S/C17H18N2O4/c1-11-3-6-15(9-12(11)2)19(17(21)22)14-7-4-13(5-8-14)10-16(20)18-23/h3-9,23H,10H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyPAHXUOVNUDKKEF-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.17
Rot. Bonds4

About (3,4-dimethylphenyl)-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]carbamic acid

(3,4-dimethylphenyl)-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]carbamic acid (PubChem CID 87884333) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]carbamic acid.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]carbamic acid
PubChem CID87884333
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name(3,4-dimethylphenyl)-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]carbamic acid
SMILESCc1ccc(N(C(=O)O)c2ccc(CC(=O)NO)cc2)cc1C
InChIInChI=1S/C17H18N2O4/c1-11-3-6-15(9-12(11)2)19(17(21)22)14-7-4-13(5-8-14)10-16(20)18-23/h3-9,23H,10H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyPAHXUOVNUDKKEF-UHFFFAOYSA-N
XLogP3.17
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(3,4-dimethylphenyl)butyl]phenyl]-N-hydroxyacetamide
CID 90049516
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide
CID 113057921
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
CID 113068921
2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
CID 60657051
2-(4-bromophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 2268328
2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide
CID 58181343
N,2-bis(3,4-dimethylphenyl)acetamide
CID 2600237
N'-(4-bromophenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide
CID 71246778
(2S)-2-[[2-(3,4-dimethylphenyl)acetyl]amino]pentanedioic acid
CID 61142501
N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62537978
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide
CID 113057862
[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol
CID 54528653

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]carbamic acid?
The IUPAC name of (3,4-dimethylphenyl)-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]carbamic acid (CID 87884333) is (3,4-dimethylphenyl)-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]carbamic acid.
What is the SMILES notation for (3,4-dimethylphenyl)-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]carbamic acid?
The canonical SMILES for (3,4-dimethylphenyl)-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]carbamic acid is Cc1ccc(N(C(=O)O)c2ccc(CC(=O)NO)cc2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]carbamic acid?
The InChIKey is PAHXUOVNUDKKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-3-6-15(9-12(11)2)19(17(21)22)14-7-4-13(5-8-14)10-16(20)18-23/h3-9,23H,10H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of (3,4-dimethylphenyl)-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]carbamic acid?
(3,4-dimethylphenyl)-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]carbamic acid has a molecular weight of 314.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]carbamic acid is sourced from PubChem (CID 87884333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).