N-(cyclopentylideneamino)-4-methoxybenzamide

C13H16N2O2 — CID 585501

IUPACN-(cyclopentylideneamino)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN=C2CCCC2)cc1
InChIInChI=1S/C13H16N2O2/c1-17-12-8-6-10(7-9-12)13(16)15-14-11-4-2-3-5-11/h6-9H,2-5H2,1H3,(H,15,16)
InChIKeyVTQRKFAWRMSWMS-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.36
Rot. Bonds3

About N-(cyclopentylideneamino)-4-methoxybenzamide

N-(cyclopentylideneamino)-4-methoxybenzamide (PubChem CID 585501) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-4-methoxybenzamide
PubChem CID585501
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(cyclopentylideneamino)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN=C2CCCC2)cc1
InChIInChI=1S/C13H16N2O2/c1-17-12-8-6-10(7-9-12)13(16)15-14-11-4-2-3-5-11/h6-9H,2-5H2,1H3,(H,15,16)
InChIKeyVTQRKFAWRMSWMS-UHFFFAOYSA-N
XLogP2.36
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-4-methoxybenzamide?
The IUPAC name of N-(cyclopentylideneamino)-4-methoxybenzamide (CID 585501) is N-(cyclopentylideneamino)-4-methoxybenzamide.
What is the SMILES notation for N-(cyclopentylideneamino)-4-methoxybenzamide?
The canonical SMILES for N-(cyclopentylideneamino)-4-methoxybenzamide is COc1ccc(C(=O)NN=C2CCCC2)cc1.
What is the InChIKey of N-(cyclopentylideneamino)-4-methoxybenzamide?
The InChIKey is VTQRKFAWRMSWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-17-12-8-6-10(7-9-12)13(16)15-14-11-4-2-3-5-11/h6-9H,2-5H2,1H3,(H,15,16).
What are the key properties of N-(cyclopentylideneamino)-4-methoxybenzamide?
N-(cyclopentylideneamino)-4-methoxybenzamide has a molecular weight of 232.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-4-methoxybenzamide is sourced from PubChem (CID 585501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).