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

C22H24N2O2 — CID 86896908

IUPAC(E)-3-(9-ethylcarbazol-3-yl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide
SMILESCCn1c2ccccc2c2cc(/C=C/C(=O)N(C)C3CCOC3)ccc21
InChIInChI=1S/C22H24N2O2/c1-3-24-20-7-5-4-6-18(20)19-14-16(8-10-21(19)24)9-11-22(25)23(2)17-12-13-26-15-17/h4-11,14,17H,3,12-13,15H2,1-2H3/b11-9+
InChIKeyIAFRTNSRSXQBJW-PKNBQFBNSA-N
MW348.45 g/mol
LogP4.07
Rot. Bonds4

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

(E)-3-(9-ethylcarbazol-3-yl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide (PubChem CID 86896908) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (E)-3-(9-ethylcarbazol-3-yl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(9-ethylcarbazol-3-yl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide
PubChem CID86896908
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(E)-3-(9-ethylcarbazol-3-yl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide
SMILESCCn1c2ccccc2c2cc(/C=C/C(=O)N(C)C3CCOC3)ccc21
InChIInChI=1S/C22H24N2O2/c1-3-24-20-7-5-4-6-18(20)19-14-16(8-10-21(19)24)9-11-22(25)23(2)17-12-13-26-15-17/h4-11,14,17H,3,12-13,15H2,1-2H3/b11-9+
InChIKeyIAFRTNSRSXQBJW-PKNBQFBNSA-N
XLogP4.07
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 51110283
(E)-3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide
CID 82738879
ethyl 1-[2-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl-methylamino]acetyl]piperidine-4-carboxylate
CID 72684622
(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
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)-3-(3-aminophenyl)-N-methyl-N-(oxan-4-yl)prop-2-enamide
CID 115342972
3-(9-ethylcarbazol-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide
CID 103599343
(E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide
CID 29198621
(1E,4E)-1-(9-ethylcarbazol-3-yl)-5-(4-hydroxy-3-methoxyphenyl)penta-1,4-dien-3-one
CID 89057721
[[(1E,4E)-1,5-bis(9-ethylcarbazol-3-yl)penta-1,4-dien-3-ylidene]amino] benzoate
CID 156769873

Frequently Asked Questions

What is the IUPAC name of (E)-3-(9-ethylcarbazol-3-yl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(9-ethylcarbazol-3-yl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide (CID 86896908) is (E)-3-(9-ethylcarbazol-3-yl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(9-ethylcarbazol-3-yl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(9-ethylcarbazol-3-yl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide is CCn1c2ccccc2c2cc(/C=C/C(=O)N(C)C3CCOC3)ccc21.
What is the InChIKey of (E)-3-(9-ethylcarbazol-3-yl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide?
The InChIKey is IAFRTNSRSXQBJW-PKNBQFBNSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-24-20-7-5-4-6-18(20)19-14-16(8-10-21(19)24)9-11-22(25)23(2)17-12-13-26-15-17/h4-11,14,17H,3,12-13,15H2,1-2H3/b11-9+.
What are the key properties of (E)-3-(9-ethylcarbazol-3-yl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide?
(E)-3-(9-ethylcarbazol-3-yl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide has a molecular weight of 348.45 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(9-ethylcarbazol-3-yl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide is sourced from PubChem (CID 86896908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).