2-cyclopropyl-N-(3-formylphenyl)propanamide

C13H15NO2 — CID 106912491

IUPAC2-cyclopropyl-N-(3-formylphenyl)propanamide
SMILESCC(C(=O)Nc1cccc(C=O)c1)C1CC1
InChIInChI=1S/C13H15NO2/c1-9(11-5-6-11)13(16)14-12-4-2-3-10(7-12)8-15/h2-4,7-9,11H,5-6H2,1H3,(H,14,16)
InChIKeyMCIJCBMXPNWYEW-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.48
Rot. Bonds4

About 2-cyclopropyl-N-(3-formylphenyl)propanamide

2-cyclopropyl-N-(3-formylphenyl)propanamide (PubChem CID 106912491) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-cyclopropyl-N-(3-formylphenyl)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(3-formylphenyl)propanamide
PubChem CID106912491
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-cyclopropyl-N-(3-formylphenyl)propanamide
SMILESCC(C(=O)Nc1cccc(C=O)c1)C1CC1
InChIInChI=1S/C13H15NO2/c1-9(11-5-6-11)13(16)14-12-4-2-3-10(7-12)8-15/h2-4,7-9,11H,5-6H2,1H3,(H,14,16)
InChIKeyMCIJCBMXPNWYEW-UHFFFAOYSA-N
XLogP2.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-N-(3-iodophenyl)propanamide
CID 79507143
methyl 3-(2-cyclopropylpropanoylamino)benzoate
CID 79506267
N-(3-formylphenyl)cyclopropanecarboxamide
CID 106912504
2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide
CID 106910711
2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide
CID 106910945
2-cyclopropyl-N-(3,4-difluorophenyl)propanamide
CID 110428971
1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide
CID 59571688
methyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate
CID 79506458
N-(3-amino-4-bromophenyl)-2-cyclopropylpropanamide
CID 83147329
N-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide
CID 79505881
N-(3-formylphenyl)-4-methylbenzamide
CID 2339361
2-ethyl-N-(3-formylphenyl)hexanamide
CID 54554247

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(3-formylphenyl)propanamide?
The IUPAC name of 2-cyclopropyl-N-(3-formylphenyl)propanamide (CID 106912491) is 2-cyclopropyl-N-(3-formylphenyl)propanamide.
What is the SMILES notation for 2-cyclopropyl-N-(3-formylphenyl)propanamide?
The canonical SMILES for 2-cyclopropyl-N-(3-formylphenyl)propanamide is CC(C(=O)Nc1cccc(C=O)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(3-formylphenyl)propanamide?
The InChIKey is MCIJCBMXPNWYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(11-5-6-11)13(16)14-12-4-2-3-10(7-12)8-15/h2-4,7-9,11H,5-6H2,1H3,(H,14,16).
What are the key properties of 2-cyclopropyl-N-(3-formylphenyl)propanamide?
2-cyclopropyl-N-(3-formylphenyl)propanamide has a molecular weight of 217.27 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(3-formylphenyl)propanamide is sourced from PubChem (CID 106912491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).