(NE)-N-[1-[(1R,8R)-11-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]ethylidene]hydroxylamine

C24H20N2O2 — CID 71620020

IUPAC(NE)-N-[1-[(1R,8R)-11-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc2c(c1)[C@@H]1c3ccccc3[C@H]2c2cc(/C(C)=N/O)ccc21
InChIInChI=1S/C24H20N2O2/c1-13(25-27)15-7-9-19-21(11-15)23-17-5-3-4-6-18(17)24(19)22-12-16(14(2)26-28)8-10-20(22)23/h3-12,23-24,27-28H,1-2H3/b25-13+,26-14+/t23-,24-/m1/s1
InChIKeyOJDDNIJMOOZXIH-ITXZTECVSA-N
MW368.44 g/mol
LogP5.07
Rot. Bonds2

About (NE)-N-[1-[(1R,8R)-11-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]ethylidene]hydroxylamine

(NE)-N-[1-[(1R,8R)-11-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]ethylidene]hydroxylamine (PubChem CID 71620020) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is (NE)-N-[1-[(1R,8R)-11-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[(1R,8R)-11-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]ethylidene]hydroxylamine
PubChem CID71620020
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name(NE)-N-[1-[(1R,8R)-11-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc2c(c1)[C@@H]1c3ccccc3[C@H]2c2cc(/C(C)=N/O)ccc21
InChIInChI=1S/C24H20N2O2/c1-13(25-27)15-7-9-19-21(11-15)23-17-5-3-4-6-18(17)24(19)22-12-16(14(2)26-28)8-10-20(22)23/h3-12,23-24,27-28H,1-2H3/b25-13+,26-14+/t23-,24-/m1/s1
InChIKeyOJDDNIJMOOZXIH-ITXZTECVSA-N
XLogP5.07
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (NE)-N-[1-[(1R,8R)-11-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]ethylidene]hydroxylamine with MolForge

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Related Compounds

pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene-4-carboxamide
CID 2826750
(1S,8S)-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarboxylic acid
CID 102582744
(1R,8R)-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarboxylic acid
CID 101172499
3-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]benzamide
CID 173127804
(NE)-N-[1-[3-(dimethylamino)phenyl]ethylidene]hydroxylamine
CID 118412119
(NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine
CID 22968888
4,5,11,12-tetramethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene
CID 4180281
2,4-bis[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 172651756
trimethyl pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,11,17-tricarboxylate
CID 126722610
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24691047
ethanol;N-[1-(4-phenylphenyl)ethylidene]hydroxylamine
CID 160781047
ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine
CID 172965019

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[(1R,8R)-11-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[(1R,8R)-11-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]ethylidene]hydroxylamine (CID 71620020) is (NE)-N-[1-[(1R,8R)-11-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[(1R,8R)-11-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[(1R,8R)-11-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]ethylidene]hydroxylamine is C/C(=N\O)c1ccc2c(c1)[C@@H]1c3ccccc3[C@H]2c2cc(/C(C)=N/O)ccc21.
What is the InChIKey of (NE)-N-[1-[(1R,8R)-11-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]ethylidene]hydroxylamine?
The InChIKey is OJDDNIJMOOZXIH-ITXZTECVSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-13(25-27)15-7-9-19-21(11-15)23-17-5-3-4-6-18(17)24(19)22-12-16(14(2)26-28)8-10-20(22)23/h3-12,23-24,27-28H,1-2H3/b25-13+,26-14+/t23-,24-/m1/s1.
What are the key properties of (NE)-N-[1-[(1R,8R)-11-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[(1R,8R)-11-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]ethylidene]hydroxylamine has a molecular weight of 368.44 g/mol, XLogP of 5.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[(1R,8R)-11-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 71620020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).