N-[4-(aminomethyl)phenyl]-8-oxooctanamide;N-methylhydroxylamine;palladium

C16H27N3O3Pd — CID 155698872

IUPACN-[4-(aminomethyl)phenyl]-8-oxooctanamide;N-methylhydroxylamine;palladium
SMILESCNO.NCc1ccc(NC(=O)CCCCCCC=O)cc1.[Pd]
InChIInChI=1S/C15H22N2O2.CH5NO.Pd/c16-12-13-7-9-14(10-8-13)17-15(19)6-4-2-1-3-5-11-18;1-2-3;/h7-11H,1-6,12,16H2,(H,17,19);2-3H,1H3;
InChIKeyCIOHQGUGWSYHEO-UHFFFAOYSA-N
MW415.83 g/mol
LogP2.22
Rot. Bonds9

About N-[4-(aminomethyl)phenyl]-8-oxooctanamide;N-methylhydroxylamine;palladium

N-[4-(aminomethyl)phenyl]-8-oxooctanamide;N-methylhydroxylamine;palladium (PubChem CID 155698872) has the molecular formula C16H27N3O3Pd and a molecular weight of 415.83 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-8-oxooctanamide;N-methylhydroxylamine;palladium.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-8-oxooctanamide;N-methylhydroxylamine;palladium
PubChem CID155698872
Molecular FormulaC16H27N3O3Pd
Molecular Weight415.83 g/mol
Exact Mass415.11
IUPAC NameN-[4-(aminomethyl)phenyl]-8-oxooctanamide;N-methylhydroxylamine;palladium
SMILESCNO.NCc1ccc(NC(=O)CCCCCCC=O)cc1.[Pd]
InChIInChI=1S/C15H22N2O2.CH5NO.Pd/c16-12-13-7-9-14(10-8-13)17-15(19)6-4-2-1-3-5-11-18;1-2-3;/h7-11H,1-6,12,16H2,(H,17,19);2-3H,1H3;
InChIKeyCIOHQGUGWSYHEO-UHFFFAOYSA-N
XLogP2.22
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.83
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-oxo-N-phenyloctanamide
CID 15739209
6-oxo-N-phenylhexanamide
CID 19422082
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
N-[4-(6-oxohexoxy)phenyl]hexanamide
CID 54463406
N'-hydroxy-N-[4-[4-(methylamino)-4-oxobutyl]phenyl]octanediamide
CID 126539842
[6-[[2-[4-(aminomethyl)anilino]-2-oxoethyl]amino]-6-oxohexyl]carbamic acid;2,2,2-trifluoroacetic acid
CID 90118595
ethyl N-[4-[4-(aminomethyl)anilino]-4-oxobutyl]carbamate
CID 163196881
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63693042
6-amino-N-(4-pentylphenyl)hexanamide
CID 61248961
N-(4-heptylphenyl)heptanamide
CID 101077737
N-[4-(aminomethyl)phenyl]-3-[2-(dimethylamino)ethyl-methylamino]propanamide
CID 63694622

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-8-oxooctanamide;N-methylhydroxylamine;palladium?
The IUPAC name of N-[4-(aminomethyl)phenyl]-8-oxooctanamide;N-methylhydroxylamine;palladium (CID 155698872) is N-[4-(aminomethyl)phenyl]-8-oxooctanamide;N-methylhydroxylamine;palladium.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-8-oxooctanamide;N-methylhydroxylamine;palladium?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-8-oxooctanamide;N-methylhydroxylamine;palladium is CNO.NCc1ccc(NC(=O)CCCCCCC=O)cc1.[Pd].
What is the InChIKey of N-[4-(aminomethyl)phenyl]-8-oxooctanamide;N-methylhydroxylamine;palladium?
The InChIKey is CIOHQGUGWSYHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.CH5NO.Pd/c16-12-13-7-9-14(10-8-13)17-15(19)6-4-2-1-3-5-11-18;1-2-3;/h7-11H,1-6,12,16H2,(H,17,19);2-3H,1H3;.
What are the key properties of N-[4-(aminomethyl)phenyl]-8-oxooctanamide;N-methylhydroxylamine;palladium?
N-[4-(aminomethyl)phenyl]-8-oxooctanamide;N-methylhydroxylamine;palladium has a molecular weight of 415.83 g/mol, XLogP of 2.22, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-8-oxooctanamide;N-methylhydroxylamine;palladium is sourced from PubChem (CID 155698872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).