1-N-cyclopentyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide

C22H23N3O3 — CID 155528539

IUPAC1-N-cyclopentyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide
SMILESO=C(N/N=C1\CCc2cccc(O)c21)c1cccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C22H23N3O3/c26-19-10-4-5-14-11-12-18(20(14)19)24-25-22(28)16-7-3-6-15(13-16)21(27)23-17-8-1-2-9-17/h3-7,10,13,17,26H,1-2,8-9,11-12H2,(H,23,27)(H,25,28)/b24-18+
InChIKeyMRAXYXCENGABEQ-HKOYGPOVSA-N
MW377.44 g/mol
LogP3.14
Rot. Bonds4

About 1-N-cyclopentyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide

1-N-cyclopentyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide (PubChem CID 155528539) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-N-cyclopentyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopentyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide
PubChem CID155528539
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-N-cyclopentyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide
SMILESO=C(N/N=C1\CCc2cccc(O)c21)c1cccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C22H23N3O3/c26-19-10-4-5-14-11-12-18(20(14)19)24-25-22(28)16-7-3-6-15(13-16)21(27)23-17-8-1-2-9-17/h3-7,10,13,17,26H,1-2,8-9,11-12H2,(H,23,27)(H,25,28)/b24-18+
InChIKeyMRAXYXCENGABEQ-HKOYGPOVSA-N
XLogP3.14
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(6-(2-(1-(2-hydroxyphenyl)ethylidene)hydrazinyl)-6-oxohexyl)benzamide
CID 135498008
(5-(2-Hydroxyphenyl)-3-methyl-4,5-dihydropyrazol-1-yl)o-tolyl)methanone
CID 54583764
1-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 155511266
3-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-cyclopentylbenzene-1,3-dicarboxamide
CID 155512516
1-N-butyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide
CID 155517388
1-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-N,3-N-diethylbenzene-1,3-dicarboxamide
CID 155527961
N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-(morpholine-4-carbonyl)benzamide
CID 155528956
3-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-cyclohexylbenzene-1,3-dicarboxamide
CID 155530140
3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide
CID 155552984
1-N-butyl-3-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide
CID 155554343
3-N,3-N-diethyl-1-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide
CID 155568039
1-N-cyclohexyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide
CID 155569635

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-cyclopentyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide (CID 155528539) is 1-N-cyclopentyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-cyclopentyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-cyclopentyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide is O=C(N/N=C1\CCc2cccc(O)c21)c1cccc(C(=O)NC2CCCC2)c1.
What is the InChIKey of 1-N-cyclopentyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide?
The InChIKey is MRAXYXCENGABEQ-HKOYGPOVSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-19-10-4-5-14-11-12-18(20(14)19)24-25-22(28)16-7-3-6-15(13-16)21(27)23-17-8-1-2-9-17/h3-7,10,13,17,26H,1-2,8-9,11-12H2,(H,23,27)(H,25,28)/b24-18+.
What are the key properties of 1-N-cyclopentyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide?
1-N-cyclopentyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide is sourced from PubChem (CID 155528539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).