(E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide

C20H22N2O2 — CID 29198621

IUPAC(E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide
SMILESCCn1c2ccccc2c2cc(/C=C/C(=O)NCCOC)ccc21
InChIInChI=1S/C20H22N2O2/c1-3-22-18-7-5-4-6-16(18)17-14-15(8-10-19(17)22)9-11-20(23)21-12-13-24-2/h4-11,14H,3,12-13H2,1-2H3,(H,21,23)/b11-9+
InChIKeyWGDHXEZYEZEFBI-PKNBQFBNSA-N
MW322.41 g/mol
LogP3.59
Rot. Bonds6

About (E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide

(E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide (PubChem CID 29198621) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide
PubChem CID29198621
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide
SMILESCCn1c2ccccc2c2cc(/C=C/C(=O)NCCOC)ccc21
InChIInChI=1S/C20H22N2O2/c1-3-22-18-7-5-4-6-16(18)17-14-15(8-10-19(17)22)9-11-20(23)21-12-13-24-2/h4-11,14H,3,12-13H2,1-2H3,(H,21,23)/b11-9+
InChIKeyWGDHXEZYEZEFBI-PKNBQFBNSA-N
XLogP3.59
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 55394225
N-[3-(dimethylamino)propyl]-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 72684242
(1E,4E)-1-(9-ethylcarbazol-3-yl)-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one
CID 58442655
3-(9-ethylcarbazol-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide
CID 103599343
(1E,4E)-1-(9-ethylcarbazol-3-yl)-5-(4-hydroxy-3-methoxyphenyl)penta-1,4-dien-3-one
CID 89057721
1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one
CID 71372095
(3E)-4-(9-ethylcarbazol-3-yl)buta-1,3-diene-1,1,2-tricarbonitrile
CID 171377802
(E)-N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 17164828
(E)-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 60607360
(E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 51339871
[[(1E,4E)-1,5-bis(9-ethylcarbazol-3-yl)penta-1,4-dien-3-ylidene]amino] benzoate
CID 156769873
N-(9-ethylcarbazol-3-yl)-N'-(2-methoxyethyl)-3-methylpentanediamide
CID 5018445

Frequently Asked Questions

What is the IUPAC name of (E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide?
The IUPAC name of (E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide (CID 29198621) is (E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide is CCn1c2ccccc2c2cc(/C=C/C(=O)NCCOC)ccc21.
What is the InChIKey of (E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide?
The InChIKey is WGDHXEZYEZEFBI-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-22-18-7-5-4-6-16(18)17-14-15(8-10-19(17)22)9-11-20(23)21-12-13-24-2/h4-11,14H,3,12-13H2,1-2H3,(H,21,23)/b11-9+.
What are the key properties of (E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide?
(E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide has a molecular weight of 322.41 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide is sourced from PubChem (CID 29198621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).