(E)-2-cyano-3-(9-ethylcarbazol-3-yl)-N-(4-triethoxysilylphenyl)prop-2-enamide

C30H33N3O4Si — CID 90444285

IUPAC(E)-2-cyano-3-(9-ethylcarbazol-3-yl)-N-(4-triethoxysilylphenyl)prop-2-enamide
SMILESCCO[Si](OCC)(OCC)c1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)c2ccccc2n3CC)cc1
InChIInChI=1S/C30H33N3O4Si/c1-5-33-28-12-10-9-11-26(28)27-20-22(13-18-29(27)33)19-23(21-31)30(34)32-24-14-16-25(17-15-24)38(35-6-2,36-7-3)37-8-4/h9-20H,5-8H2,1-4H3,(H,32,34)/b23-19+
InChIKeyNNPQZYSHKRSVBA-FCDQGJHFSA-N
MW527.70 g/mol
LogP5.62
Rot. Bonds11

About (E)-2-cyano-3-(9-ethylcarbazol-3-yl)-N-(4-triethoxysilylphenyl)prop-2-enamide

(E)-2-cyano-3-(9-ethylcarbazol-3-yl)-N-(4-triethoxysilylphenyl)prop-2-enamide (PubChem CID 90444285) has the molecular formula C30H33N3O4Si and a molecular weight of 527.70 g/mol. Its IUPAC name is (E)-2-cyano-3-(9-ethylcarbazol-3-yl)-N-(4-triethoxysilylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(9-ethylcarbazol-3-yl)-N-(4-triethoxysilylphenyl)prop-2-enamide
PubChem CID90444285
Molecular FormulaC30H33N3O4Si
Molecular Weight527.70 g/mol
Exact Mass527.22
IUPAC Name(E)-2-cyano-3-(9-ethylcarbazol-3-yl)-N-(4-triethoxysilylphenyl)prop-2-enamide
SMILESCCO[Si](OCC)(OCC)c1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)c2ccccc2n3CC)cc1
InChIInChI=1S/C30H33N3O4Si/c1-5-33-28-12-10-9-11-26(28)27-20-22(13-18-29(27)33)19-23(21-31)30(34)32-24-14-16-25(17-15-24)38(35-6-2,36-7-3)37-8-4/h9-20H,5-8H2,1-4H3,(H,32,34)/b23-19+
InChIKeyNNPQZYSHKRSVBA-FCDQGJHFSA-N
XLogP5.62
TPSA85.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.70
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-3-(9-ethylcarbazol-3-yl)prop-2-enethioamide
CID 101167613
(Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 2367807
(Z)-2-cyano-3-(3-ethoxy-4-methoxyphenyl)-N-phenylprop-2-enamide
CID 99915300
2-[(9-ethylcarbazol-2-yl)methylidene]propanedinitrile
CID 88823200
(E)-2-(benzenesulfonyl)-3-(9-ethylcarbazol-3-yl)prop-2-enenitrile
CID 2208030
2-cyano-3-(3,4-diethoxyphenyl)-N-(4-methylphenyl)prop-2-enamide
CID 75895568
(Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-ethylphenyl)prop-2-enamide
CID 21209303
N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide
CID 90300485
3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid
CID 79736980
(E)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-3-(1-ethyl-2-methylindol-3-yl)prop-2-enamide
CID 126385982
(E)-2-cyano-3-(1,2-dimethylindol-3-yl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 1355463
(Z)-3-(3-chlorophenyl)-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide
CID 124647545

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(9-ethylcarbazol-3-yl)-N-(4-triethoxysilylphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(9-ethylcarbazol-3-yl)-N-(4-triethoxysilylphenyl)prop-2-enamide (CID 90444285) is (E)-2-cyano-3-(9-ethylcarbazol-3-yl)-N-(4-triethoxysilylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(9-ethylcarbazol-3-yl)-N-(4-triethoxysilylphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(9-ethylcarbazol-3-yl)-N-(4-triethoxysilylphenyl)prop-2-enamide is CCO[Si](OCC)(OCC)c1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)c2ccccc2n3CC)cc1.
What is the InChIKey of (E)-2-cyano-3-(9-ethylcarbazol-3-yl)-N-(4-triethoxysilylphenyl)prop-2-enamide?
The InChIKey is NNPQZYSHKRSVBA-FCDQGJHFSA-N. The full InChI is InChI=1S/C30H33N3O4Si/c1-5-33-28-12-10-9-11-26(28)27-20-22(13-18-29(27)33)19-23(21-31)30(34)32-24-14-16-25(17-15-24)38(35-6-2,36-7-3)37-8-4/h9-20H,5-8H2,1-4H3,(H,32,34)/b23-19+.
What are the key properties of (E)-2-cyano-3-(9-ethylcarbazol-3-yl)-N-(4-triethoxysilylphenyl)prop-2-enamide?
(E)-2-cyano-3-(9-ethylcarbazol-3-yl)-N-(4-triethoxysilylphenyl)prop-2-enamide has a molecular weight of 527.70 g/mol, XLogP of 5.62, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(9-ethylcarbazol-3-yl)-N-(4-triethoxysilylphenyl)prop-2-enamide is sourced from PubChem (CID 90444285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).