(E)-N-(9H-carbazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide

C22H18N2O2 — CID 122192252

IUPAC(E)-N-(9H-carbazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc3[nH]c4ccccc4c3c2)cc1
InChIInChI=1S/C22H18N2O2/c1-26-17-10-6-15(7-11-17)8-13-22(25)23-16-9-12-21-19(14-16)18-4-2-3-5-20(18)24-21/h2-14,24H,1H3,(H,23,25)/b13-8+
InChIKeyPQODPCGGKQYCHB-MDWZMJQESA-N
MW342.40 g/mol
LogP4.98
Rot. Bonds4

About (E)-N-(9H-carbazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-(9H-carbazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 122192252) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (E)-N-(9H-carbazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(9H-carbazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID122192252
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name(E)-N-(9H-carbazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc3[nH]c4ccccc4c3c2)cc1
InChIInChI=1S/C22H18N2O2/c1-26-17-10-6-15(7-11-17)8-13-22(25)23-16-9-12-21-19(14-16)18-4-2-3-5-20(18)24-21/h2-14,24H,1H3,(H,23,25)/b13-8+
InChIKeyPQODPCGGKQYCHB-MDWZMJQESA-N
XLogP4.98
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(4-methoxyphenyl)prop-2-enoylamino]-1H-indole-2-carboxylic acid
CID 155026003
(E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 790357
(E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 897806
(E)-N-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 5404828
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
N-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 883171
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259
phenyl 2-hydroxy-4-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate
CID 1184646
(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 874970
ethyl 3-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate
CID 890216
ethyl 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 890217

Frequently Asked Questions

What is the IUPAC name of (E)-N-(9H-carbazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(9H-carbazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide (CID 122192252) is (E)-N-(9H-carbazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(9H-carbazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(9H-carbazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccc3[nH]c4ccccc4c3c2)cc1.
What is the InChIKey of (E)-N-(9H-carbazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is PQODPCGGKQYCHB-MDWZMJQESA-N. The full InChI is InChI=1S/C22H18N2O2/c1-26-17-10-6-15(7-11-17)8-13-22(25)23-16-9-12-21-19(14-16)18-4-2-3-5-20(18)24-21/h2-14,24H,1H3,(H,23,25)/b13-8+.
What are the key properties of (E)-N-(9H-carbazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-(9H-carbazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 342.40 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(9H-carbazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 122192252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).