2-anilinoheptanamide

C13H20N2O — CID 61005049

IUPAC2-anilinoheptanamide
SMILESCCCCCC(Nc1ccccc1)C(N)=O
InChIInChI=1S/C13H20N2O/c1-2-3-5-10-12(13(14)16)15-11-8-6-4-7-9-11/h4,6-9,12,15H,2-3,5,10H2,1H3,(H2,14,16)
InChIKeyTVAVRTKNDXZQEJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.53
Rot. Bonds7

About 2-anilinoheptanamide

2-anilinoheptanamide (PubChem CID 61005049) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-anilinoheptanamide.

Molecular Properties

Compound Name2-anilinoheptanamide
PubChem CID61005049
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-anilinoheptanamide
SMILESCCCCCC(Nc1ccccc1)C(N)=O
InChIInChI=1S/C13H20N2O/c1-2-3-5-10-12(13(14)16)15-11-8-6-4-7-9-11/h4,6-9,12,15H,2-3,5,10H2,1H3,(H2,14,16)
InChIKeyTVAVRTKNDXZQEJ-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-anilinoheptanamide?
The IUPAC name of 2-anilinoheptanamide (CID 61005049) is 2-anilinoheptanamide.
What is the SMILES notation for 2-anilinoheptanamide?
The canonical SMILES for 2-anilinoheptanamide is CCCCCC(Nc1ccccc1)C(N)=O.
What is the InChIKey of 2-anilinoheptanamide?
The InChIKey is TVAVRTKNDXZQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-3-5-10-12(13(14)16)15-11-8-6-4-7-9-11/h4,6-9,12,15H,2-3,5,10H2,1H3,(H2,14,16).
What are the key properties of 2-anilinoheptanamide?
2-anilinoheptanamide has a molecular weight of 220.32 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinoheptanamide is sourced from PubChem (CID 61005049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).