(NE)-N-(1-phenyltetradecylidene)hydroxylamine

C20H33NO — CID 6283340

IUPAC(NE)-N-(1-phenyltetradecylidene)hydroxylamine
SMILESCCCCCCCCCCCCC/C(=N\O)c1ccccc1
InChIInChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-9-10-11-15-18-20(21-22)19-16-13-12-14-17-19/h12-14,16-17,22H,2-11,15,18H2,1H3/b21-20+
InChIKeyKCOLLAAYRLGNFV-QZQOTICOSA-N
MW303.49 g/mol
LogP6.57
Rot. Bonds13

About (NE)-N-(1-phenyltetradecylidene)hydroxylamine

(NE)-N-(1-phenyltetradecylidene)hydroxylamine (PubChem CID 6283340) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is (NE)-N-(1-phenyltetradecylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-phenyltetradecylidene)hydroxylamine
PubChem CID6283340
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name(NE)-N-(1-phenyltetradecylidene)hydroxylamine
SMILESCCCCCCCCCCCCC/C(=N\O)c1ccccc1
InChIInChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-9-10-11-15-18-20(21-22)19-16-13-12-14-17-19/h12-14,16-17,22H,2-11,15,18H2,1H3/b21-20+
InChIKeyKCOLLAAYRLGNFV-QZQOTICOSA-N
XLogP6.57
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1-phenyldodecylidene)hydroxylamine
CID 6013511
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
4-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 136661885
4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135822572
8-hydroxyimino-8-phenyloctanoic acid
CID 85433757
N-[1-(1-methylpyridin-1-ium-4-yl)tridecylidene]hydroxylamine
CID 136913036
(6Z)-6-hydroxyimino-6-phenylhexanoic acid
CID 121009203
N-methoxy-1-phenylhexan-1-imine
CID 141496906
(NE)-N-[(10E)-1,10-bis(4-hexoxyphenyl)-10-hydroxyiminodecylidene]hydroxylamine
CID 5362368
N-[1-(3-butoxyphenyl)tetradecylidene]hydroxylamine
CID 71832094
8-phenyltetradec-7-en-7-ylbenzene
CID 141438246
N-(1-phenylpentylideneamino)octanamide
CID 4676930

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-phenyltetradecylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-phenyltetradecylidene)hydroxylamine (CID 6283340) is (NE)-N-(1-phenyltetradecylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-phenyltetradecylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-phenyltetradecylidene)hydroxylamine is CCCCCCCCCCCCC/C(=N\O)c1ccccc1.
What is the InChIKey of (NE)-N-(1-phenyltetradecylidene)hydroxylamine?
The InChIKey is KCOLLAAYRLGNFV-QZQOTICOSA-N. The full InChI is InChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-9-10-11-15-18-20(21-22)19-16-13-12-14-17-19/h12-14,16-17,22H,2-11,15,18H2,1H3/b21-20+.
What are the key properties of (NE)-N-(1-phenyltetradecylidene)hydroxylamine?
(NE)-N-(1-phenyltetradecylidene)hydroxylamine has a molecular weight of 303.49 g/mol, XLogP of 6.57, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-phenyltetradecylidene)hydroxylamine is sourced from PubChem (CID 6283340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).