N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]cyclopropanecarboxamide

C14H18N2O2 — CID 9234745

IUPACN-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]cyclopropanecarboxamide
SMILESCOc1ccc(C/C(C)=N\NC(=O)C2CC2)cc1
InChIInChI=1S/C14H18N2O2/c1-10(15-16-14(17)12-5-6-12)9-11-3-7-13(18-2)8-4-11/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,16,17)/b15-10-
InChIKeyQCWKSZMPIKGAMX-GDNBJRDFSA-N
MW246.31 g/mol
LogP2.14
Rot. Bonds5

About N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]cyclopropanecarboxamide

N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]cyclopropanecarboxamide (PubChem CID 9234745) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]cyclopropanecarboxamide
PubChem CID9234745
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]cyclopropanecarboxamide
SMILESCOc1ccc(C/C(C)=N\NC(=O)C2CC2)cc1
InChIInChI=1S/C14H18N2O2/c1-10(15-16-14(17)12-5-6-12)9-11-3-7-13(18-2)8-4-11/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,16,17)/b15-10-
InChIKeyQCWKSZMPIKGAMX-GDNBJRDFSA-N
XLogP2.14
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.14
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

4-methoxy-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 9359348
N'-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]oxamide
CID 9120892
N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 968760
N'-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yloxamide
CID 3873637
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]cyclohexanecarboxamide
CID 5411890
2-bromo-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 7937148
N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide
CID 965816
(5S)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7988280
N-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 3778528
N-[2-(4-methoxyphenyl)ethanethioyl]cyclohexanecarboxamide
CID 150757406
2-(4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide
CID 6370873
3-iodo-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 3923844

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]cyclopropanecarboxamide (CID 9234745) is N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]cyclopropanecarboxamide is COc1ccc(C/C(C)=N\NC(=O)C2CC2)cc1.
What is the InChIKey of N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]cyclopropanecarboxamide?
The InChIKey is QCWKSZMPIKGAMX-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(15-16-14(17)12-5-6-12)9-11-3-7-13(18-2)8-4-11/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,16,17)/b15-10-.
What are the key properties of N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]cyclopropanecarboxamide?
N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]cyclopropanecarboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 9234745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).