4-[[(1-benzyltetrazol-5-yl)methyl-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide

C27H28N6O3 — CID 162660527

IUPAC4-[[(1-benzyltetrazol-5-yl)methyl-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide
SMILESCC(C)c1ccc(C(=O)N(Cc2ccc(C(=O)NO)cc2)Cc2nnnn2Cc2ccccc2)cc1
InChIInChI=1S/C27H28N6O3/c1-19(2)22-12-14-24(15-13-22)27(35)32(16-21-8-10-23(11-9-21)26(34)29-36)18-25-28-30-31-33(25)17-20-6-4-3-5-7-20/h3-15,19,36H,16-18H2,1-2H3,(H,29,34)
InChIKeyFAERAGXWSGZVTO-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.81
Rot. Bonds9

About 4-[[(1-benzyltetrazol-5-yl)methyl-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide

4-[[(1-benzyltetrazol-5-yl)methyl-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide (PubChem CID 162660527) has the molecular formula C27H28N6O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is 4-[[(1-benzyltetrazol-5-yl)methyl-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[(1-benzyltetrazol-5-yl)methyl-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide
PubChem CID162660527
Molecular FormulaC27H28N6O3
Molecular Weight484.56 g/mol
Exact Mass484.22
IUPAC Name4-[[(1-benzyltetrazol-5-yl)methyl-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide
SMILESCC(C)c1ccc(C(=O)N(Cc2ccc(C(=O)NO)cc2)Cc2nnnn2Cc2ccccc2)cc1
InChIInChI=1S/C27H28N6O3/c1-19(2)22-12-14-24(15-13-22)27(35)32(16-21-8-10-23(11-9-21)26(34)29-36)18-25-28-30-31-33(25)17-20-6-4-3-5-7-20/h3-15,19,36H,16-18H2,1-2H3,(H,29,34)
InChIKeyFAERAGXWSGZVTO-UHFFFAOYSA-N
XLogP3.81
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

4-[[(1-benzyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide
CID 162652849
N,N-dibenzyl-4-propan-2-ylbenzamide
CID 5101447
1-[4-[(5-benzyltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone
CID 161071002
N,N-dibenzyl-4-[2-(hydroxyamino)-2-oxoethyl]benzamide
CID 71519573
4-[[benzoyl(cyclopropylmethyl)amino]methyl]-N-hydroxybenzamide
CID 177250979
4-[[[2-(benzylamino)-2-oxoethyl]-[4-(dimethylamino)benzoyl]amino]methyl]-N-hydroxybenzamide
CID 134812689
N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide
CID 108571670
2-(1-benzyltetrazol-5-yl)propanoic acid
CID 84695493
N,N-dimethyl-5-[[(4-phenylbenzoyl)amino]methyl]tetrazole-1-carboxamide
CID 24795719
4-(dibenzylcarbamoyl)benzoic acid
CID 67563328
N-hydroxy-4-[[(2-phenylacetyl)-(2-phenylethyl)amino]methyl]benzamide
CID 147494656
4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 92662313

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-benzyltetrazol-5-yl)methyl-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[(1-benzyltetrazol-5-yl)methyl-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide (CID 162660527) is 4-[[(1-benzyltetrazol-5-yl)methyl-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[(1-benzyltetrazol-5-yl)methyl-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[(1-benzyltetrazol-5-yl)methyl-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide is CC(C)c1ccc(C(=O)N(Cc2ccc(C(=O)NO)cc2)Cc2nnnn2Cc2ccccc2)cc1.
What is the InChIKey of 4-[[(1-benzyltetrazol-5-yl)methyl-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide?
The InChIKey is FAERAGXWSGZVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3/c1-19(2)22-12-14-24(15-13-22)27(35)32(16-21-8-10-23(11-9-21)26(34)29-36)18-25-28-30-31-33(25)17-20-6-4-3-5-7-20/h3-15,19,36H,16-18H2,1-2H3,(H,29,34).
What are the key properties of 4-[[(1-benzyltetrazol-5-yl)methyl-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide?
4-[[(1-benzyltetrazol-5-yl)methyl-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide has a molecular weight of 484.56 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-benzyltetrazol-5-yl)methyl-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 162660527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).