4-[3-[4-(dimethylamino)anilino]-3-oxopropyl]-N-hydroxybenzamide

C18H21N3O3 — CID 142672672

IUPAC4-[3-[4-(dimethylamino)anilino]-3-oxopropyl]-N-hydroxybenzamide
SMILESCN(C)c1ccc(NC(=O)CCc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C18H21N3O3/c1-21(2)16-10-8-15(9-11-16)19-17(22)12-5-13-3-6-14(7-4-13)18(23)20-24/h3-4,6-11,24H,5,12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyOLRYMUDKHKDQLB-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.44
Rot. Bonds6

About 4-[3-[4-(dimethylamino)anilino]-3-oxopropyl]-N-hydroxybenzamide

4-[3-[4-(dimethylamino)anilino]-3-oxopropyl]-N-hydroxybenzamide (PubChem CID 142672672) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-[3-[4-(dimethylamino)anilino]-3-oxopropyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[3-[4-(dimethylamino)anilino]-3-oxopropyl]-N-hydroxybenzamide
PubChem CID142672672
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name4-[3-[4-(dimethylamino)anilino]-3-oxopropyl]-N-hydroxybenzamide
SMILESCN(C)c1ccc(NC(=O)CCc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C18H21N3O3/c1-21(2)16-10-8-15(9-11-16)19-17(22)12-5-13-3-6-14(7-4-13)18(23)20-24/h3-4,6-11,24H,5,12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyOLRYMUDKHKDQLB-UHFFFAOYSA-N
XLogP2.44
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

N-[4-(dimethylamino)phenyl]-3-phenylpropanamide
CID 874810
4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide
CID 44516409
N-hydroxy-4-(3-naphthalen-2-ylpropanoylamino)benzamide
CID 173044291
3-[4-(dimethylamino)phenyl]-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 24555376
N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide
CID 58899047
N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide
CID 114310879
4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide
CID 43617033
4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide
CID 54795405
N,3-bis(4-methylphenyl)propanamide
CID 19220434
3-[4-(dimethylamino)phenyl]-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82252916
N-[4-[acetyl(methyl)amino]phenyl]-3-(4-aminophenyl)propanamide
CID 54794998
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(dimethylamino)anilino]-3-oxopropyl]-N-hydroxybenzamide?
The IUPAC name of 4-[3-[4-(dimethylamino)anilino]-3-oxopropyl]-N-hydroxybenzamide (CID 142672672) is 4-[3-[4-(dimethylamino)anilino]-3-oxopropyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[3-[4-(dimethylamino)anilino]-3-oxopropyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[3-[4-(dimethylamino)anilino]-3-oxopropyl]-N-hydroxybenzamide is CN(C)c1ccc(NC(=O)CCc2ccc(C(=O)NO)cc2)cc1.
What is the InChIKey of 4-[3-[4-(dimethylamino)anilino]-3-oxopropyl]-N-hydroxybenzamide?
The InChIKey is OLRYMUDKHKDQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-21(2)16-10-8-15(9-11-16)19-17(22)12-5-13-3-6-14(7-4-13)18(23)20-24/h3-4,6-11,24H,5,12H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 4-[3-[4-(dimethylamino)anilino]-3-oxopropyl]-N-hydroxybenzamide?
4-[3-[4-(dimethylamino)anilino]-3-oxopropyl]-N-hydroxybenzamide has a molecular weight of 327.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(dimethylamino)anilino]-3-oxopropyl]-N-hydroxybenzamide is sourced from PubChem (CID 142672672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).