N-[[4-(4-tert-butylanilino)phenyl]methyl]-4-(dimethylamino)-N-hydroxybutanamide

C23H33N3O2 — CID 166062225

IUPACN-[[4-(4-tert-butylanilino)phenyl]methyl]-4-(dimethylamino)-N-hydroxybutanamide
SMILESCN(C)CCCC(=O)N(O)Cc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H33N3O2/c1-23(2,3)19-10-14-21(15-11-19)24-20-12-8-18(9-13-20)17-26(28)22(27)7-6-16-25(4)5/h8-15,24,28H,6-7,16-17H2,1-5H3
InChIKeySTXVXELNVRGMMH-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.79
Rot. Bonds8

About N-[[4-(4-tert-butylanilino)phenyl]methyl]-4-(dimethylamino)-N-hydroxybutanamide

N-[[4-(4-tert-butylanilino)phenyl]methyl]-4-(dimethylamino)-N-hydroxybutanamide (PubChem CID 166062225) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[[4-(4-tert-butylanilino)phenyl]methyl]-4-(dimethylamino)-N-hydroxybutanamide.

Molecular Properties

Compound NameN-[[4-(4-tert-butylanilino)phenyl]methyl]-4-(dimethylamino)-N-hydroxybutanamide
PubChem CID166062225
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-[[4-(4-tert-butylanilino)phenyl]methyl]-4-(dimethylamino)-N-hydroxybutanamide
SMILESCN(C)CCCC(=O)N(O)Cc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H33N3O2/c1-23(2,3)19-10-14-21(15-11-19)24-20-12-8-18(9-13-20)17-26(28)22(27)7-6-16-25(4)5/h8-15,24,28H,6-7,16-17H2,1-5H3
InChIKeySTXVXELNVRGMMH-UHFFFAOYSA-N
XLogP4.79
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-tert-butylanilino)phenyl]methyl]-4-(dimethylamino)-N-hydroxybutanamide?
The IUPAC name of N-[[4-(4-tert-butylanilino)phenyl]methyl]-4-(dimethylamino)-N-hydroxybutanamide (CID 166062225) is N-[[4-(4-tert-butylanilino)phenyl]methyl]-4-(dimethylamino)-N-hydroxybutanamide.
What is the SMILES notation for N-[[4-(4-tert-butylanilino)phenyl]methyl]-4-(dimethylamino)-N-hydroxybutanamide?
The canonical SMILES for N-[[4-(4-tert-butylanilino)phenyl]methyl]-4-(dimethylamino)-N-hydroxybutanamide is CN(C)CCCC(=O)N(O)Cc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[[4-(4-tert-butylanilino)phenyl]methyl]-4-(dimethylamino)-N-hydroxybutanamide?
The InChIKey is STXVXELNVRGMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-23(2,3)19-10-14-21(15-11-19)24-20-12-8-18(9-13-20)17-26(28)22(27)7-6-16-25(4)5/h8-15,24,28H,6-7,16-17H2,1-5H3.
What are the key properties of N-[[4-(4-tert-butylanilino)phenyl]methyl]-4-(dimethylamino)-N-hydroxybutanamide?
N-[[4-(4-tert-butylanilino)phenyl]methyl]-4-(dimethylamino)-N-hydroxybutanamide has a molecular weight of 383.54 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-tert-butylanilino)phenyl]methyl]-4-(dimethylamino)-N-hydroxybutanamide is sourced from PubChem (CID 166062225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).