N-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide

C18H29N3O3 — CID 166628013

IUPACN-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide
SMILESCCN(CC)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
InChIInChI=1S/C18H29N3O3/c1-3-21(4-2)16-13-11-15(12-14-16)19-17(22)9-7-5-6-8-10-18(23)20-24/h11-14,24H,3-10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyZDUOFVUKXTVPDS-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.32
Rot. Bonds11

About N-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide

N-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide (PubChem CID 166628013) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide
PubChem CID166628013
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide
SMILESCCN(CC)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
InChIInChI=1S/C18H29N3O3/c1-3-21(4-2)16-13-11-15(12-14-16)19-17(22)9-7-5-6-8-10-18(23)20-24/h11-14,24H,3-10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyZDUOFVUKXTVPDS-UHFFFAOYSA-N
XLogP3.32
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-[4-(diethylamino)phenyl]undecanamide
CID 4594726
N-[4-(diethylamino)phenyl]dodecanamide;hydrochloride
CID 54599918
5-bromo-N-[4-(diethylamino)phenyl]pentanamide
CID 107907428
4-[4-(diethylamino)anilino]-4-oxobutanoic acid
CID 722023
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide
CID 79204146
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
3-[4-(diethylamino)anilino]-3-oxopropanoic acid
CID 62230045
N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108956266
[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl] acetate
CID 175537934
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
CID 17196837
N'-hydroxy-N-[4-[4-(methylamino)-4-oxobutyl]phenyl]octanediamide
CID 126539842

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide (CID 166628013) is N-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide is CCN(CC)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide?
The InChIKey is ZDUOFVUKXTVPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-3-21(4-2)16-13-11-15(12-14-16)19-17(22)9-7-5-6-8-10-18(23)20-24/h11-14,24H,3-10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide?
N-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide has a molecular weight of 335.45 g/mol, XLogP of 3.32, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide is sourced from PubChem (CID 166628013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).