4-[(9-ethylcarbazol-3-yl)carbamoyl]oxane-4-carboxylic acid

C21H22N2O4 — CID 167766906

IUPAC4-[(9-ethylcarbazol-3-yl)carbamoyl]oxane-4-carboxylic acid
SMILESCCn1c2ccccc2c2cc(NC(=O)C3(C(=O)O)CCOCC3)ccc21
InChIInChI=1S/C21H22N2O4/c1-2-23-17-6-4-3-5-15(17)16-13-14(7-8-18(16)23)22-19(24)21(20(25)26)9-11-27-12-10-21/h3-8,13H,2,9-12H2,1H3,(H,22,24)(H,25,26)
InChIKeyDUAUBLVBCCGLHK-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.63
Rot. Bonds4

About 4-[(9-ethylcarbazol-3-yl)carbamoyl]oxane-4-carboxylic acid

4-[(9-ethylcarbazol-3-yl)carbamoyl]oxane-4-carboxylic acid (PubChem CID 167766906) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-[(9-ethylcarbazol-3-yl)carbamoyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(9-ethylcarbazol-3-yl)carbamoyl]oxane-4-carboxylic acid
PubChem CID167766906
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name4-[(9-ethylcarbazol-3-yl)carbamoyl]oxane-4-carboxylic acid
SMILESCCn1c2ccccc2c2cc(NC(=O)C3(C(=O)O)CCOCC3)ccc21
InChIInChI=1S/C21H22N2O4/c1-2-23-17-6-4-3-5-15(17)16-13-14(7-8-18(16)23)22-19(24)21(20(25)26)9-11-27-12-10-21/h3-8,13H,2,9-12H2,1H3,(H,22,24)(H,25,26)
InChIKeyDUAUBLVBCCGLHK-UHFFFAOYSA-N
XLogP3.63
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-acetamido-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide
CID 55819946
N-(9-ethylcarbazol-3-yl)-3,5,7-trimethyladamantane-1-carboxamide
CID 4301824
trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 2321929
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
N-(9-ethylcarbazol-3-yl)-2-(oxiran-2-ylmethylamino)acetamide
CID 22458845
phenyl N-(9-ethylcarbazol-3-yl)carbamate
CID 2182675
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
CID 119672985
4,5-dicyano-N-(9-ethylcarbazol-3-yl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide
CID 18834832
1-acetyl-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide
CID 17127014
(3R)-N-(9-ethylcarbazol-3-yl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 52909261
(2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide
CID 124582604

Frequently Asked Questions

What is the IUPAC name of 4-[(9-ethylcarbazol-3-yl)carbamoyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[(9-ethylcarbazol-3-yl)carbamoyl]oxane-4-carboxylic acid (CID 167766906) is 4-[(9-ethylcarbazol-3-yl)carbamoyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(9-ethylcarbazol-3-yl)carbamoyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(9-ethylcarbazol-3-yl)carbamoyl]oxane-4-carboxylic acid is CCn1c2ccccc2c2cc(NC(=O)C3(C(=O)O)CCOCC3)ccc21.
What is the InChIKey of 4-[(9-ethylcarbazol-3-yl)carbamoyl]oxane-4-carboxylic acid?
The InChIKey is DUAUBLVBCCGLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-2-23-17-6-4-3-5-15(17)16-13-14(7-8-18(16)23)22-19(24)21(20(25)26)9-11-27-12-10-21/h3-8,13H,2,9-12H2,1H3,(H,22,24)(H,25,26).
What are the key properties of 4-[(9-ethylcarbazol-3-yl)carbamoyl]oxane-4-carboxylic acid?
4-[(9-ethylcarbazol-3-yl)carbamoyl]oxane-4-carboxylic acid has a molecular weight of 366.42 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(9-ethylcarbazol-3-yl)carbamoyl]oxane-4-carboxylic acid is sourced from PubChem (CID 167766906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).