N-cyclohexyl-2-(1,3,3-trimethylindol-2-ylidene)acetamide

C19H26N2O — CID 4656730

IUPACN-cyclohexyl-2-(1,3,3-trimethylindol-2-ylidene)acetamide
SMILESCN1C(=CC(=O)NC2CCCCC2)C(C)(C)c2ccccc21
InChIInChI=1S/C19H26N2O/c1-19(2)15-11-7-8-12-16(15)21(3)17(19)13-18(22)20-14-9-5-4-6-10-14/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,20,22)
InChIKeyQEBUWCDDZZSVLF-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.75
Rot. Bonds2

About N-cyclohexyl-2-(1,3,3-trimethylindol-2-ylidene)acetamide

N-cyclohexyl-2-(1,3,3-trimethylindol-2-ylidene)acetamide (PubChem CID 4656730) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-cyclohexyl-2-(1,3,3-trimethylindol-2-ylidene)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1,3,3-trimethylindol-2-ylidene)acetamide
PubChem CID4656730
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-cyclohexyl-2-(1,3,3-trimethylindol-2-ylidene)acetamide
SMILESCN1C(=CC(=O)NC2CCCCC2)C(C)(C)c2ccccc21
InChIInChI=1S/C19H26N2O/c1-19(2)15-11-7-8-12-16(15)21(3)17(19)13-18(22)20-14-9-5-4-6-10-14/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,20,22)
InChIKeyQEBUWCDDZZSVLF-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E)-3-oxo-4-(1,3,3-trimethylindol-2-ylidene)butanamide
CID 2330522
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
(2Z)-1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 2402485
ethyl 2-(1,3,3-trimethylindol-2-ylidene)acetate
CID 3275142
[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] (2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoate
CID 55928168
1,3,3-trimethyl-2-(nitrosomethylidene)indole
CID 4625557
2-methyl-N-[2-(1,3,3-trimethylindol-2-ylidene)ethanethioyl]propanamide
CID 4255167
2-methyl-N-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethanethioyl]propanamide
CID 2428526
2-methyl-N-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethanethioyl]propanamide
CID 2428525
1-(cyclopropylmethyl)-3-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]urea
CID 110876822
1-(furan-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 622375
(2E)-1-(4-ethylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 2339263

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1,3,3-trimethylindol-2-ylidene)acetamide?
The IUPAC name of N-cyclohexyl-2-(1,3,3-trimethylindol-2-ylidene)acetamide (CID 4656730) is N-cyclohexyl-2-(1,3,3-trimethylindol-2-ylidene)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(1,3,3-trimethylindol-2-ylidene)acetamide?
The canonical SMILES for N-cyclohexyl-2-(1,3,3-trimethylindol-2-ylidene)acetamide is CN1C(=CC(=O)NC2CCCCC2)C(C)(C)c2ccccc21.
What is the InChIKey of N-cyclohexyl-2-(1,3,3-trimethylindol-2-ylidene)acetamide?
The InChIKey is QEBUWCDDZZSVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-19(2)15-11-7-8-12-16(15)21(3)17(19)13-18(22)20-14-9-5-4-6-10-14/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,20,22).
What are the key properties of N-cyclohexyl-2-(1,3,3-trimethylindol-2-ylidene)acetamide?
N-cyclohexyl-2-(1,3,3-trimethylindol-2-ylidene)acetamide has a molecular weight of 298.43 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1,3,3-trimethylindol-2-ylidene)acetamide is sourced from PubChem (CID 4656730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).