N-[2-(cyclohexylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide

C25H31N3O4 — CID 132515050

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N(CC(=O)NC2CCCCC2)Cc2ccc(C(=O)NO)cc2)c1
InChIInChI=1S/C25H31N3O4/c1-17-12-18(2)14-21(13-17)25(31)28(16-23(29)26-22-6-4-3-5-7-22)15-19-8-10-20(11-9-19)24(30)27-32/h8-14,22,32H,3-7,15-16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyPEXKZGDNGWXGSQ-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.51
Rot. Bonds7

About N-[2-(cyclohexylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide

N-[2-(cyclohexylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide (PubChem CID 132515050) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide
PubChem CID132515050
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N(CC(=O)NC2CCCCC2)Cc2ccc(C(=O)NO)cc2)c1
InChIInChI=1S/C25H31N3O4/c1-17-12-18(2)14-21(13-17)25(31)28(16-23(29)26-22-6-4-3-5-7-22)15-19-8-10-20(11-9-19)24(30)27-32/h8-14,22,32H,3-7,15-16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyPEXKZGDNGWXGSQ-UHFFFAOYSA-N
XLogP3.51
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.51
H-Bond Donors ≤ 53
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-[2-(cyclohexylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide (CID 132515050) is N-[2-(cyclohexylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)N(CC(=O)NC2CCCCC2)Cc2ccc(C(=O)NO)cc2)c1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide?
The InChIKey is PEXKZGDNGWXGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-17-12-18(2)14-21(13-17)25(31)28(16-23(29)26-22-6-4-3-5-7-22)15-19-8-10-20(11-9-19)24(30)27-32/h8-14,22,32H,3-7,15-16H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide has a molecular weight of 437.54 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 132515050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).