3-(4-formylanilino)pentanamide

C12H16N2O2 — CID 142935348

IUPAC3-(4-formylanilino)pentanamide
SMILESCCC(CC(N)=O)Nc1ccc(C=O)cc1
InChIInChI=1S/C12H16N2O2/c1-2-10(7-12(13)16)14-11-5-3-9(8-15)4-6-11/h3-6,8,10,14H,2,7H2,1H3,(H2,13,16)
InChIKeyNNYZOYHOIFHOID-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.57
Rot. Bonds6

About 3-(4-formylanilino)pentanamide

3-(4-formylanilino)pentanamide (PubChem CID 142935348) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(4-formylanilino)pentanamide.

Molecular Properties

Compound Name3-(4-formylanilino)pentanamide
PubChem CID142935348
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-(4-formylanilino)pentanamide
SMILESCCC(CC(N)=O)Nc1ccc(C=O)cc1
InChIInChI=1S/C12H16N2O2/c1-2-10(7-12(13)16)14-11-5-3-9(8-15)4-6-11/h3-6,8,10,14H,2,7H2,1H3,(H2,13,16)
InChIKeyNNYZOYHOIFHOID-UHFFFAOYSA-N
XLogP1.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-formylanilino)pentanamide?
The IUPAC name of 3-(4-formylanilino)pentanamide (CID 142935348) is 3-(4-formylanilino)pentanamide.
What is the SMILES notation for 3-(4-formylanilino)pentanamide?
The canonical SMILES for 3-(4-formylanilino)pentanamide is CCC(CC(N)=O)Nc1ccc(C=O)cc1.
What is the InChIKey of 3-(4-formylanilino)pentanamide?
The InChIKey is NNYZOYHOIFHOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-10(7-12(13)16)14-11-5-3-9(8-15)4-6-11/h3-6,8,10,14H,2,7H2,1H3,(H2,13,16).
What are the key properties of 3-(4-formylanilino)pentanamide?
3-(4-formylanilino)pentanamide has a molecular weight of 220.27 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formylanilino)pentanamide is sourced from PubChem (CID 142935348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).