N-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide

C14H18N2O2 — CID 24819076

IUPACN-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide
SMILESCCCOc1ccccc1C=NNC(=O)C1CC1
InChIInChI=1S/C14H18N2O2/c1-2-9-18-13-6-4-3-5-12(13)10-15-16-14(17)11-7-8-11/h3-6,10-11H,2,7-9H2,1H3,(H,16,17)
InChIKeyICOPLFFBNZIZLW-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.34
Rot. Bonds6

About N-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide

N-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide (PubChem CID 24819076) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide
PubChem CID24819076
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide
SMILESCCCOc1ccccc1C=NNC(=O)C1CC1
InChIInChI=1S/C14H18N2O2/c1-2-9-18-13-6-4-3-5-12(13)10-15-16-14(17)11-7-8-11/h3-6,10-11H,2,7-9H2,1H3,(H,16,17)
InChIKeyICOPLFFBNZIZLW-UHFFFAOYSA-N
XLogP2.34
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.34
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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Related Compounds

1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 5131862
4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 4300474
N-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide
CID 6907933
1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide
CID 135977022
N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931430
1-cyclohexyl-3-[(Z)-(2-propoxyphenyl)methylideneamino]thiourea
CID 112538714
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 6907928
2-(2-methoxyphenoxy)-N-[(E)-(2-propoxyphenyl)methylideneamino]acetamide
CID 6872121
N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide
CID 5334576
N-[(Z)-naphthalen-1-ylmethylideneamino]cyclopropanecarboxamide
CID 5420009
N-[(2R)-butan-2-yl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988811

Frequently Asked Questions

What is the IUPAC name of N-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide (CID 24819076) is N-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide is CCCOc1ccccc1C=NNC(=O)C1CC1.
What is the InChIKey of N-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is ICOPLFFBNZIZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-9-18-13-6-4-3-5-12(13)10-15-16-14(17)11-7-8-11/h3-6,10-11H,2,7-9H2,1H3,(H,16,17).
What are the key properties of N-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide?
N-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 24819076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).