N-[3-[dimethylamino(hydroxy)methyl]-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methylbenzamide

C24H25N3O4 — CID 134277245

IUPACN-[3-[dimethylamino(hydroxy)methyl]-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3ccc(C(=O)NO)cc3)cc(C(O)N(C)C)c2)cc1
InChIInChI=1S/C24H25N3O4/c1-15-4-6-17(7-5-15)22(28)25-21-13-19(12-20(14-21)24(30)27(2)3)16-8-10-18(11-9-16)23(29)26-31/h4-14,24,30-31H,1-3H3,(H,25,28)(H,26,29)
InChIKeyMFBDWVJHJOANQV-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.59
Rot. Bonds6

About N-[3-[dimethylamino(hydroxy)methyl]-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methylbenzamide

N-[3-[dimethylamino(hydroxy)methyl]-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methylbenzamide (PubChem CID 134277245) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[3-[dimethylamino(hydroxy)methyl]-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[dimethylamino(hydroxy)methyl]-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methylbenzamide
PubChem CID134277245
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-[3-[dimethylamino(hydroxy)methyl]-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3ccc(C(=O)NO)cc3)cc(C(O)N(C)C)c2)cc1
InChIInChI=1S/C24H25N3O4/c1-15-4-6-17(7-5-15)22(28)25-21-13-19(12-20(14-21)24(30)27(2)3)16-8-10-18(11-9-16)23(29)26-31/h4-14,24,30-31H,1-3H3,(H,25,28)(H,26,29)
InChIKeyMFBDWVJHJOANQV-UHFFFAOYSA-N
XLogP3.59
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorobenzoyl)amino]-5-[4-(hydroxycarbamoyl)phenyl]-N,N-dimethylbenzamide
CID 87916115
4-(3,5-dibenzamidophenyl)-N-hydroxybenzamide
CID 10238468
N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,5-dimethylbenzamide
CID 87915967
3-[4-(hydroxycarbamoyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]-5-[(4-methylbenzoyl)amino]benzamide
CID 87916092
3-(4-methoxyphenyl)-5-[(4-methylbenzoyl)amino]benzoic acid
CID 164625810
4-methyl-N-(3,4,5-trichlorophenyl)benzamide
CID 18739044
1-[3-[4-(hydroxycarbamoyl)phenyl]-5-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 87915983
4-[3-[(4-fluorobenzoyl)amino]phenyl]-N-hydroxybenzamide
CID 10308934
methyl 1-[3-[4-(hydroxycarbamoyl)phenyl]-5-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxylate
CID 87916116
N-(3,5-diformylphenyl)-4-methylbenzamide
CID 163216310
4-methyl-N-(2,4,6-triphenylphenyl)benzamide
CID 12729541
N-hydroxy-3-[(4-phenylbenzoyl)amino]benzamide
CID 142750431

Frequently Asked Questions

What is the IUPAC name of N-[3-[dimethylamino(hydroxy)methyl]-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[3-[dimethylamino(hydroxy)methyl]-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methylbenzamide (CID 134277245) is N-[3-[dimethylamino(hydroxy)methyl]-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[dimethylamino(hydroxy)methyl]-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[dimethylamino(hydroxy)methyl]-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(-c3ccc(C(=O)NO)cc3)cc(C(O)N(C)C)c2)cc1.
What is the InChIKey of N-[3-[dimethylamino(hydroxy)methyl]-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methylbenzamide?
The InChIKey is MFBDWVJHJOANQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-15-4-6-17(7-5-15)22(28)25-21-13-19(12-20(14-21)24(30)27(2)3)16-8-10-18(11-9-16)23(29)26-31/h4-14,24,30-31H,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-[3-[dimethylamino(hydroxy)methyl]-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methylbenzamide?
N-[3-[dimethylamino(hydroxy)methyl]-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methylbenzamide has a molecular weight of 419.48 g/mol, XLogP of 3.59, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[dimethylamino(hydroxy)methyl]-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 134277245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).