[(Z)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-3-(3-methylcyclopentyl)propylidene]amino] acetate

C33H36N2O3 — CID 172921191

IUPAC[(Z)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-3-(3-methylcyclopentyl)propylidene]amino] acetate
SMILESCCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(CCC3CCC(C)C3)=N\OC(C)=O)ccc21
InChIInChI=1S/C33H36N2O3/c1-5-35-31-16-13-25(30(34-38-23(4)36)15-12-24-11-10-21(2)18-24)19-28(31)29-20-26(14-17-32(29)35)33(37)27-9-7-6-8-22(27)3/h6-9,13-14,16-17,19-21,24H,5,10-12,15,18H2,1-4H3/b34-30-
InChIKeyRDHJTVBPVFUFHM-BVNFUTIRSA-N
MW508.66 g/mol
LogP7.84
Rot. Bonds8

About [(Z)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-3-(3-methylcyclopentyl)propylidene]amino] acetate

[(Z)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-3-(3-methylcyclopentyl)propylidene]amino] acetate (PubChem CID 172921191) has the molecular formula C33H36N2O3 and a molecular weight of 508.66 g/mol. Its IUPAC name is [(Z)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-3-(3-methylcyclopentyl)propylidene]amino] acetate.

Molecular Properties

Compound Name[(Z)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-3-(3-methylcyclopentyl)propylidene]amino] acetate
PubChem CID172921191
Molecular FormulaC33H36N2O3
Molecular Weight508.66 g/mol
Exact Mass508.27
IUPAC Name[(Z)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-3-(3-methylcyclopentyl)propylidene]amino] acetate
SMILESCCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(CCC3CCC(C)C3)=N\OC(C)=O)ccc21
InChIInChI=1S/C33H36N2O3/c1-5-35-31-16-13-25(30(34-38-23(4)36)15-12-24-11-10-21(2)18-24)19-28(31)29-20-26(14-17-32(29)35)33(37)27-9-7-6-8-22(27)3/h6-9,13-14,16-17,19-21,24H,5,10-12,15,18H2,1-4H3/b34-30-
InChIKeyRDHJTVBPVFUFHM-BVNFUTIRSA-N
XLogP7.84
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.66
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]hex-4-ynylideneamino] acetate
CID 58122004
[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-5-phenylpent-4-ynylidene]amino] acetate
CID 58122005
[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pent-4-ynylideneamino] acetate;prop-1-ene
CID 143868635
ethane;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
CID 144561442
[6-[C-(2-cyclohexylethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone
CID 155166254
[[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] acetate
CID 123819915
[[3-[4-[4-[6-[N-acetyloxy-C-(2-cyclobutylethyl)carbonimidoyl]-9-ethylcarbazole-3-carbonyl]-3-methylphenyl]cyclohexyl]-1-[7-[4-[3-acetyloxyimino-3-(9-ethylcarbazol-3-yl)propyl]cyclohexyl]-9-ethylcarbazol-3-yl]propylidene]amino] benzoate
CID 123301660
[(E)-[4-cyclopropyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] benzoate
CID 118902031
[9-ethyl-6-[(E)-N-hydroxy-C-propylcarbonimidoyl]carbazol-3-yl]-(2-methylphenyl)methanone
CID 155166271
[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 4-azabicyclo[5.1.0]octane-4-carboxylate
CID 172917665
[2-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
CID 87223594
[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-(4-nitrophenyl)methylidene]amino] acetate
CID 134392058

Frequently Asked Questions

What is the IUPAC name of [(Z)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-3-(3-methylcyclopentyl)propylidene]amino] acetate?
The IUPAC name of [(Z)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-3-(3-methylcyclopentyl)propylidene]amino] acetate (CID 172921191) is [(Z)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-3-(3-methylcyclopentyl)propylidene]amino] acetate.
What is the SMILES notation for [(Z)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-3-(3-methylcyclopentyl)propylidene]amino] acetate?
The canonical SMILES for [(Z)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-3-(3-methylcyclopentyl)propylidene]amino] acetate is CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(CCC3CCC(C)C3)=N\OC(C)=O)ccc21.
What is the InChIKey of [(Z)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-3-(3-methylcyclopentyl)propylidene]amino] acetate?
The InChIKey is RDHJTVBPVFUFHM-BVNFUTIRSA-N. The full InChI is InChI=1S/C33H36N2O3/c1-5-35-31-16-13-25(30(34-38-23(4)36)15-12-24-11-10-21(2)18-24)19-28(31)29-20-26(14-17-32(29)35)33(37)27-9-7-6-8-22(27)3/h6-9,13-14,16-17,19-21,24H,5,10-12,15,18H2,1-4H3/b34-30-.
What are the key properties of [(Z)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-3-(3-methylcyclopentyl)propylidene]amino] acetate?
[(Z)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-3-(3-methylcyclopentyl)propylidene]amino] acetate has a molecular weight of 508.66 g/mol, XLogP of 7.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-3-(3-methylcyclopentyl)propylidene]amino] acetate is sourced from PubChem (CID 172921191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).