N-[2-(2-propylanilino)ethyl]acetamide

C13H20N2O — CID 107529290

IUPACN-[2-(2-propylanilino)ethyl]acetamide
SMILESCCCc1ccccc1NCCNC(C)=O
InChIInChI=1S/C13H20N2O/c1-3-6-12-7-4-5-8-13(12)15-10-9-14-11(2)16/h4-5,7-8,15H,3,6,9-10H2,1-2H3,(H,14,16)
InChIKeyDCBSJAZTIXQFHF-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.19
Rot. Bonds6

About N-[2-(2-propylanilino)ethyl]acetamide

N-[2-(2-propylanilino)ethyl]acetamide (PubChem CID 107529290) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[2-(2-propylanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-propylanilino)ethyl]acetamide
PubChem CID107529290
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[2-(2-propylanilino)ethyl]acetamide
SMILESCCCc1ccccc1NCCNC(C)=O
InChIInChI=1S/C13H20N2O/c1-3-6-12-7-4-5-8-13(12)15-10-9-14-11(2)16/h4-5,7-8,15H,3,6,9-10H2,1-2H3,(H,14,16)
InChIKeyDCBSJAZTIXQFHF-UHFFFAOYSA-N
XLogP2.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(2-propylanilino)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-(2-methoxyethyl)anilino]ethyl]acetamide
CID 107530128
ethane;N-(2-propylphenyl)acetamide
CID 142804217
N-[2-(2-ethoxyanilino)ethyl]acetamide
CID 103604124
N-(2-fluoroethyl)-2-propylaniline
CID 80695673
N-methyl-4-(2-propylanilino)butanamide
CID 63891193
methyl 4-(2-propylanilino)butanoate
CID 54963180
2-(2-propylanilino)ethanesulfonamide
CID 114384948
N-(4,4-dimethylpentyl)-2-propylaniline
CID 114209394
N-(3-phenylpropyl)-2-propylaniline
CID 43687217
N-[2-(2-phenoxyanilino)ethyl]acetamide
CID 103604146
2-[(2-propylanilino)methyl]benzoic acid
CID 103246196
methyl 2-acetamido-3-(2-propylanilino)propanoate
CID 103246193

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-propylanilino)ethyl]acetamide?
The IUPAC name of N-[2-(2-propylanilino)ethyl]acetamide (CID 107529290) is N-[2-(2-propylanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-propylanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(2-propylanilino)ethyl]acetamide is CCCc1ccccc1NCCNC(C)=O.
What is the InChIKey of N-[2-(2-propylanilino)ethyl]acetamide?
The InChIKey is DCBSJAZTIXQFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-6-12-7-4-5-8-13(12)15-10-9-14-11(2)16/h4-5,7-8,15H,3,6,9-10H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(2-propylanilino)ethyl]acetamide?
N-[2-(2-propylanilino)ethyl]acetamide has a molecular weight of 220.32 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propylanilino)ethyl]acetamide is sourced from PubChem (CID 107529290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).