[6-[C-(2-cyclohexylethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone

C31H34N2O2 — CID 155166254

IUPAC[6-[C-(2-cyclohexylethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone
SMILESCCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(C(CCC3CCCCC3)=NO)ccc21
InChIInChI=1S/C31H34N2O2/c1-3-33-29-17-14-23(28(32-35)16-13-22-10-5-4-6-11-22)19-26(29)27-20-24(15-18-30(27)33)31(34)25-12-8-7-9-21(25)2/h7-9,12,14-15,17-20,22,35H,3-6,10-11,13,16H2,1-2H3
InChIKeyMMUJYBKXNUWSAS-UHFFFAOYSA-N
MW466.63 g/mol
LogP7.89
Rot. Bonds7

About [6-[C-(2-cyclohexylethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone

[6-[C-(2-cyclohexylethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone (PubChem CID 155166254) has the molecular formula C31H34N2O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is [6-[C-(2-cyclohexylethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[6-[C-(2-cyclohexylethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone
PubChem CID155166254
Molecular FormulaC31H34N2O2
Molecular Weight466.63 g/mol
Exact Mass466.26
IUPAC Name[6-[C-(2-cyclohexylethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone
SMILESCCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(C(CCC3CCCCC3)=NO)ccc21
InChIInChI=1S/C31H34N2O2/c1-3-33-29-17-14-23(28(32-35)16-13-22-10-5-4-6-11-22)19-26(29)27-20-24(15-18-30(27)33)31(34)25-12-8-7-9-21(25)2/h7-9,12,14-15,17-20,22,35H,3-6,10-11,13,16H2,1-2H3
InChIKeyMMUJYBKXNUWSAS-UHFFFAOYSA-N
XLogP7.89
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[9-ethyl-6-[(E)-N-hydroxy-C-propylcarbonimidoyl]carbazol-3-yl]-(2-methylphenyl)methanone
CID 155166271
[(Z)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-3-(3-methylcyclopentyl)propylidene]amino] acetate
CID 172921191
1-cyclopentyl-3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-2-one
CID 154285254
acetic acid;[6-[C-(1-cyclopentylethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone
CID 160905901
3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-nitrosopropan-2-one
CID 123356523
[(E)-[3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-oxopropylidene]amino] benzoate
CID 141449161
[(E)-[3-cyclohexyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] benzoate
CID 145376485
[(E)-[4-cyclopropyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] benzoate
CID 118902031
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one
CID 144844132
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-iminopentan-1-one
CID 138599036
[6-(1-cyclopentyl-1,2-dideuteriopropyl)-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone
CID 175797035
(6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
CID 175814606

Frequently Asked Questions

What is the IUPAC name of [6-[C-(2-cyclohexylethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone?
The IUPAC name of [6-[C-(2-cyclohexylethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone (CID 155166254) is [6-[C-(2-cyclohexylethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [6-[C-(2-cyclohexylethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [6-[C-(2-cyclohexylethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone is CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(C(CCC3CCCCC3)=NO)ccc21.
What is the InChIKey of [6-[C-(2-cyclohexylethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone?
The InChIKey is MMUJYBKXNUWSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O2/c1-3-33-29-17-14-23(28(32-35)16-13-22-10-5-4-6-11-22)19-26(29)27-20-24(15-18-30(27)33)31(34)25-12-8-7-9-21(25)2/h7-9,12,14-15,17-20,22,35H,3-6,10-11,13,16H2,1-2H3.
What are the key properties of [6-[C-(2-cyclohexylethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone?
[6-[C-(2-cyclohexylethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone has a molecular weight of 466.63 g/mol, XLogP of 7.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[C-(2-cyclohexylethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 155166254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).