N'-(anthracen-9-ylmethylideneamino)-N-(9-ethylcarbazol-3-yl)oxamide

C31H24N4O2 — CID 3382572

IUPACN'-(anthracen-9-ylmethylideneamino)-N-(9-ethylcarbazol-3-yl)oxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C(=O)NN=Cc3c4ccccc4cc4ccccc34)ccc21
InChIInChI=1S/C31H24N4O2/c1-2-35-28-14-8-7-13-25(28)26-18-22(15-16-29(26)35)33-30(36)31(37)34-32-19-27-23-11-5-3-9-20(23)17-21-10-4-6-12-24(21)27/h3-19H,2H2,1H3,(H,33,36)(H,34,37)
InChIKeyHTHQSTDCJOPYAI-UHFFFAOYSA-N
MW484.56 g/mol
LogP6.21
Rot. Bonds4

About N'-(anthracen-9-ylmethylideneamino)-N-(9-ethylcarbazol-3-yl)oxamide

N'-(anthracen-9-ylmethylideneamino)-N-(9-ethylcarbazol-3-yl)oxamide (PubChem CID 3382572) has the molecular formula C31H24N4O2 and a molecular weight of 484.56 g/mol. Its IUPAC name is N'-(anthracen-9-ylmethylideneamino)-N-(9-ethylcarbazol-3-yl)oxamide.

Molecular Properties

Compound NameN'-(anthracen-9-ylmethylideneamino)-N-(9-ethylcarbazol-3-yl)oxamide
PubChem CID3382572
Molecular FormulaC31H24N4O2
Molecular Weight484.56 g/mol
Exact Mass484.19
IUPAC NameN'-(anthracen-9-ylmethylideneamino)-N-(9-ethylcarbazol-3-yl)oxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C(=O)NN=Cc3c4ccccc4cc4ccccc34)ccc21
InChIInChI=1S/C31H24N4O2/c1-2-35-28-14-8-7-13-25(28)26-18-22(15-16-29(26)35)33-30(36)31(37)34-32-19-27-23-11-5-3-9-20(23)17-21-10-4-6-12-24(21)27/h3-19H,2H2,1H3,(H,33,36)(H,34,37)
InChIKeyHTHQSTDCJOPYAI-UHFFFAOYSA-N
XLogP6.21
TPSA75.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-anthracen-9-ylmethylideneamino]-N-methyloxamide
CID 7718958
(2Z)-2-(dimethylamino)-N-(9-ethylcarbazol-3-yl)penta-2,4-dienamide
CID 142188591
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
1-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-3-phenylurea
CID 5432015
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 2321929
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 136739213
N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
CID 119672985
phenyl N-(9-ethylcarbazol-3-yl)carbamate
CID 2182675
N-(9-ethylcarbazol-3-yl)-2-naphthalen-2-yloxyacetamide
CID 3107361
N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 126259376
N-[(9-ethylcarbazol-3-yl)methylideneamino]-3,5-dihydroxybenzamide
CID 1011382

Frequently Asked Questions

What is the IUPAC name of N'-(anthracen-9-ylmethylideneamino)-N-(9-ethylcarbazol-3-yl)oxamide?
The IUPAC name of N'-(anthracen-9-ylmethylideneamino)-N-(9-ethylcarbazol-3-yl)oxamide (CID 3382572) is N'-(anthracen-9-ylmethylideneamino)-N-(9-ethylcarbazol-3-yl)oxamide.
What is the SMILES notation for N'-(anthracen-9-ylmethylideneamino)-N-(9-ethylcarbazol-3-yl)oxamide?
The canonical SMILES for N'-(anthracen-9-ylmethylideneamino)-N-(9-ethylcarbazol-3-yl)oxamide is CCn1c2ccccc2c2cc(NC(=O)C(=O)NN=Cc3c4ccccc4cc4ccccc34)ccc21.
What is the InChIKey of N'-(anthracen-9-ylmethylideneamino)-N-(9-ethylcarbazol-3-yl)oxamide?
The InChIKey is HTHQSTDCJOPYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N4O2/c1-2-35-28-14-8-7-13-25(28)26-18-22(15-16-29(26)35)33-30(36)31(37)34-32-19-27-23-11-5-3-9-20(23)17-21-10-4-6-12-24(21)27/h3-19H,2H2,1H3,(H,33,36)(H,34,37).
What are the key properties of N'-(anthracen-9-ylmethylideneamino)-N-(9-ethylcarbazol-3-yl)oxamide?
N'-(anthracen-9-ylmethylideneamino)-N-(9-ethylcarbazol-3-yl)oxamide has a molecular weight of 484.56 g/mol, XLogP of 6.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(anthracen-9-ylmethylideneamino)-N-(9-ethylcarbazol-3-yl)oxamide is sourced from PubChem (CID 3382572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).