N-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide

C15H23N3O3 — CID 143322146

IUPACN-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide
SMILESNCc1ccccc1NC(=O)CCCCCCC(=O)NO
InChIInChI=1S/C15H23N3O3/c16-11-12-7-5-6-8-13(12)17-14(19)9-3-1-2-4-10-15(20)18-21/h5-8,21H,1-4,9-11,16H2,(H,17,19)(H,18,20)
InChIKeyOSCFWKMFCALRAJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.93
Rot. Bonds9

About N-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide

N-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide (PubChem CID 143322146) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide
PubChem CID143322146
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide
SMILESNCc1ccccc1NC(=O)CCCCCCC(=O)NO
InChIInChI=1S/C15H23N3O3/c16-11-12-7-5-6-8-13(12)17-14(19)9-3-1-2-4-10-15(20)18-21/h5-8,21H,1-4,9-11,16H2,(H,17,19)(H,18,20)
InChIKeyOSCFWKMFCALRAJ-UHFFFAOYSA-N
XLogP1.93
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[2-(aminomethyl)phenyl]-4-pyrrolidin-1-ylbutanamide
CID 16779594
N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide
CID 114212815
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
N-[2-(aminomethyl)phenyl]-4-[methyl(pentyl)amino]butanamide
CID 43294538
3-[2-(5-aminopentanoylamino)phenyl]propanoic acid
CID 107273556
N-[2-(aminomethyl)phenyl]-4-(2-methylpropylsulfonyl)butanamide
CID 64698214
N-[4-[2-[(2-aminoacetyl)amino]phenyl]phenyl]-N'-hydroxyoctanediamide
CID 25032062
N-[2-(aminomethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 63753752
N-[2-(aminomethyl)phenyl]carbamoyl chloride
CID 142823786
4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 43704976
N-[2-(aminomethyl)phenyl]-3-pentylsulfinylpropanamide
CID 107766804

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide (CID 143322146) is N-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide is NCc1ccccc1NC(=O)CCCCCCC(=O)NO.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide?
The InChIKey is OSCFWKMFCALRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c16-11-12-7-5-6-8-13(12)17-14(19)9-3-1-2-4-10-15(20)18-21/h5-8,21H,1-4,9-11,16H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide?
N-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide has a molecular weight of 293.37 g/mol, XLogP of 1.93, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide is sourced from PubChem (CID 143322146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).