N-[1-(3-butoxyphenyl)tetradecylidene]hydroxylamine

C24H41NO2 — CID 71832094

IUPACN-[1-(3-butoxyphenyl)tetradecylidene]hydroxylamine
SMILESCCCCCCCCCCCCCC(=NO)c1cccc(OCCCC)c1
InChIInChI=1S/C24H41NO2/c1-3-5-7-8-9-10-11-12-13-14-15-19-24(25-26)22-17-16-18-23(21-22)27-20-6-4-2/h16-18,21,26H,3-15,19-20H2,1-2H3
InChIKeyIBSPQKZBGXISST-UHFFFAOYSA-N
MW375.60 g/mol
LogP7.74
Rot. Bonds17

About N-[1-(3-butoxyphenyl)tetradecylidene]hydroxylamine

N-[1-(3-butoxyphenyl)tetradecylidene]hydroxylamine (PubChem CID 71832094) has the molecular formula C24H41NO2 and a molecular weight of 375.60 g/mol. Its IUPAC name is N-[1-(3-butoxyphenyl)tetradecylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3-butoxyphenyl)tetradecylidene]hydroxylamine
PubChem CID71832094
Molecular FormulaC24H41NO2
Molecular Weight375.60 g/mol
Exact Mass375.31
IUPAC NameN-[1-(3-butoxyphenyl)tetradecylidene]hydroxylamine
SMILESCCCCCCCCCCCCCC(=NO)c1cccc(OCCCC)c1
InChIInChI=1S/C24H41NO2/c1-3-5-7-8-9-10-11-12-13-14-15-19-24(25-26)22-17-16-18-23(21-22)27-20-6-4-2/h16-18,21,26H,3-15,19-20H2,1-2H3
InChIKeyIBSPQKZBGXISST-UHFFFAOYSA-N
XLogP7.74
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(10E)-1,10-bis(4-hexoxyphenyl)-10-hydroxyiminodecylidene]hydroxylamine
CID 5362368
N-[1-(3-decoxyphenyl)ethylidene]hydroxylamine
CID 76999592
N-[1,5-bis(4-heptoxyphenyl)-5-hydroxyiminopentylidene]hydroxylamine
CID 3094830
3-decoxy-N'-hydroxybenzenecarboximidamide
CID 76997791
4-butoxy-2-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135615488
5-butoxy-2-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135699539
5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol
CID 4282509
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
(NE)-N-(1-phenyldodecylidene)hydroxylamine
CID 6013511
1,2-bis(3-hexoxyphenyl)ethane-1,2-dione
CID 71777687
(NE)-N-[(4-heptoxyphenyl)-(3-methoxyphenyl)methylidene]hydroxylamine
CID 6240249

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-butoxyphenyl)tetradecylidene]hydroxylamine?
The IUPAC name of N-[1-(3-butoxyphenyl)tetradecylidene]hydroxylamine (CID 71832094) is N-[1-(3-butoxyphenyl)tetradecylidene]hydroxylamine.
What is the SMILES notation for N-[1-(3-butoxyphenyl)tetradecylidene]hydroxylamine?
The canonical SMILES for N-[1-(3-butoxyphenyl)tetradecylidene]hydroxylamine is CCCCCCCCCCCCCC(=NO)c1cccc(OCCCC)c1.
What is the InChIKey of N-[1-(3-butoxyphenyl)tetradecylidene]hydroxylamine?
The InChIKey is IBSPQKZBGXISST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO2/c1-3-5-7-8-9-10-11-12-13-14-15-19-24(25-26)22-17-16-18-23(21-22)27-20-6-4-2/h16-18,21,26H,3-15,19-20H2,1-2H3.
What are the key properties of N-[1-(3-butoxyphenyl)tetradecylidene]hydroxylamine?
N-[1-(3-butoxyphenyl)tetradecylidene]hydroxylamine has a molecular weight of 375.60 g/mol, XLogP of 7.74, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-butoxyphenyl)tetradecylidene]hydroxylamine is sourced from PubChem (CID 71832094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).