N-hydroxy-2-pentyl-N'-phenyloctanediamide

C19H30N2O3 — CID 134143927

IUPACN-hydroxy-2-pentyl-N'-phenyloctanediamide
SMILESCCCCCC(CCCCCC(=O)Nc1ccccc1)C(=O)NO
InChIInChI=1S/C19H30N2O3/c1-2-3-6-11-16(19(23)21-24)12-7-4-10-15-18(22)20-17-13-8-5-9-14-17/h5,8-9,13-14,16,24H,2-4,6-7,10-12,15H2,1H3,(H,20,22)(H,21,23)
InChIKeyHHEJLIRVCLXQMR-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.28
Rot. Bonds12

About N-hydroxy-2-pentyl-N'-phenyloctanediamide

N-hydroxy-2-pentyl-N'-phenyloctanediamide (PubChem CID 134143927) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-hydroxy-2-pentyl-N'-phenyloctanediamide.

Molecular Properties

Compound NameN-hydroxy-2-pentyl-N'-phenyloctanediamide
PubChem CID134143927
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-hydroxy-2-pentyl-N'-phenyloctanediamide
SMILESCCCCCC(CCCCCC(=O)Nc1ccccc1)C(=O)NO
InChIInChI=1S/C19H30N2O3/c1-2-3-6-11-16(19(23)21-24)12-7-4-10-15-18(22)20-17-13-8-5-9-14-17/h5,8-9,13-14,16,24H,2-4,6-7,10-12,15H2,1H3,(H,20,22)(H,21,23)
InChIKeyHHEJLIRVCLXQMR-UHFFFAOYSA-N
XLogP4.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
5-oxo-N-phenylheptadecanamide
CID 3308902
formamide;N-phenylheptanamide
CID 143464966
4-amino-N-phenyldodecanamide
CID 154099763
(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-phenyldocos-13-enamide
CID 54224492
N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide
CID 127035783
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
2-hexyl-N-hydroxyoctanamide
CID 139661264
4-(dodecanoylamino)-N-phenylbenzamide
CID 5109500
3-pentyl-N-phenylnonanamide
CID 155185761

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-pentyl-N'-phenyloctanediamide?
The IUPAC name of N-hydroxy-2-pentyl-N'-phenyloctanediamide (CID 134143927) is N-hydroxy-2-pentyl-N'-phenyloctanediamide.
What is the SMILES notation for N-hydroxy-2-pentyl-N'-phenyloctanediamide?
The canonical SMILES for N-hydroxy-2-pentyl-N'-phenyloctanediamide is CCCCCC(CCCCCC(=O)Nc1ccccc1)C(=O)NO.
What is the InChIKey of N-hydroxy-2-pentyl-N'-phenyloctanediamide?
The InChIKey is HHEJLIRVCLXQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-2-3-6-11-16(19(23)21-24)12-7-4-10-15-18(22)20-17-13-8-5-9-14-17/h5,8-9,13-14,16,24H,2-4,6-7,10-12,15H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-hydroxy-2-pentyl-N'-phenyloctanediamide?
N-hydroxy-2-pentyl-N'-phenyloctanediamide has a molecular weight of 334.46 g/mol, XLogP of 4.28, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-pentyl-N'-phenyloctanediamide is sourced from PubChem (CID 134143927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).