N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-methoxy-4-methylbenzamide

C19H23N3O2 — CID 50854226

IUPACN-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-methoxy-4-methylbenzamide
SMILESCOc1cc(C)ccc1C(=O)N/N=C\c1ccn(C2CCCC2)c1
InChIInChI=1S/C19H23N3O2/c1-14-7-8-17(18(11-14)24-2)19(23)21-20-12-15-9-10-22(13-15)16-5-3-4-6-16/h7-13,16H,3-6H2,1-2H3,(H,21,23)/b20-12-
InChIKeyDBDAJYJZCNEZQY-NDENLUEZSA-N
MW325.41 g/mol
LogP3.68
Rot. Bonds5

About N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-methoxy-4-methylbenzamide

N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-methoxy-4-methylbenzamide (PubChem CID 50854226) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-methoxy-4-methylbenzamide
PubChem CID50854226
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-methoxy-4-methylbenzamide
SMILESCOc1cc(C)ccc1C(=O)N/N=C\c1ccn(C2CCCC2)c1
InChIInChI=1S/C19H23N3O2/c1-14-7-8-17(18(11-14)24-2)19(23)21-20-12-15-9-10-22(13-15)16-5-3-4-6-16/h7-13,16H,3-6H2,1-2H3,(H,21,23)/b20-12-
InChIKeyDBDAJYJZCNEZQY-NDENLUEZSA-N
XLogP3.68
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 50854462
N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-3-hydroxybenzamide
CID 50854205
2-methoxy-4-methyl-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50857495
N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 137062879
N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide
CID 50854136
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 4304772
2-methoxy-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzamide
CID 126109428
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 5034585
2-methoxy-4-methyl-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50862125
N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-[3-(dimethylamino)phenoxy]acetamide
CID 50854108
2-chloro-N-[(Z)-(4-methoxy-3-methylphenyl)methylideneamino]-4-methylbenzamide
CID 126060129
2-methoxy-4-methyl-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868270

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-methoxy-4-methylbenzamide?
The IUPAC name of N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-methoxy-4-methylbenzamide (CID 50854226) is N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-methoxy-4-methylbenzamide?
The canonical SMILES for N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-methoxy-4-methylbenzamide is COc1cc(C)ccc1C(=O)N/N=C\c1ccn(C2CCCC2)c1.
What is the InChIKey of N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-methoxy-4-methylbenzamide?
The InChIKey is DBDAJYJZCNEZQY-NDENLUEZSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-7-8-17(18(11-14)24-2)19(23)21-20-12-15-9-10-22(13-15)16-5-3-4-6-16/h7-13,16H,3-6H2,1-2H3,(H,21,23)/b20-12-.
What are the key properties of N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-methoxy-4-methylbenzamide?
N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-methoxy-4-methylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-methoxy-4-methylbenzamide is sourced from PubChem (CID 50854226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).