2-[1-(4-aminophenyl)ethyl-propylamino]-N-methylacetamide

C14H23N3O — CID 54984241

IUPAC2-[1-(4-aminophenyl)ethyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)C(C)c1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-4-9-17(10-14(18)16-3)11(2)12-5-7-13(15)8-6-12/h5-8,11H,4,9-10,15H2,1-3H3,(H,16,18)
InChIKeyAWVNVMGCPCFUOQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.79
Rot. Bonds6

About 2-[1-(4-aminophenyl)ethyl-propylamino]-N-methylacetamide

2-[1-(4-aminophenyl)ethyl-propylamino]-N-methylacetamide (PubChem CID 54984241) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[1-(4-aminophenyl)ethyl-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(4-aminophenyl)ethyl-propylamino]-N-methylacetamide
PubChem CID54984241
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[1-(4-aminophenyl)ethyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)C(C)c1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-4-9-17(10-14(18)16-3)11(2)12-5-7-13(15)8-6-12/h5-8,11H,4,9-10,15H2,1-3H3,(H,16,18)
InChIKeyAWVNVMGCPCFUOQ-UHFFFAOYSA-N
XLogP1.79
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-hydroxyphenyl)ethyl-propylamino]-N-methylacetamide
CID 82985774
2-[1-(4-aminophenyl)ethyl-ethylamino]acetamide
CID 103101327
2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide
CID 55017743
methyl 5-[1-[[2-(methylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate
CID 79090923
2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid
CID 65064536
2-(4-amino-N-ethylanilino)-N-methylacetamide
CID 43577916
N-(2-benzoylphenyl)-2-[[(1S)-1-phenylethyl]-propylamino]acetamide
CID 102142549
2-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-propylamino]-N-methylacetamide
CID 55212881
1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol
CID 62266967
N-methyl-2-[(1-oxo-1-phenylbutan-2-yl)-propylamino]acetamide
CID 62035767
2-[2-(4-aminophenyl)ethyl-ethylamino]-N-methylacetamide
CID 43574920
3-(4-aminophenyl)-N,N-dipropylbutanamide
CID 104501970

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-aminophenyl)ethyl-propylamino]-N-methylacetamide?
The IUPAC name of 2-[1-(4-aminophenyl)ethyl-propylamino]-N-methylacetamide (CID 54984241) is 2-[1-(4-aminophenyl)ethyl-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[1-(4-aminophenyl)ethyl-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[1-(4-aminophenyl)ethyl-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)C(C)c1ccc(N)cc1.
What is the InChIKey of 2-[1-(4-aminophenyl)ethyl-propylamino]-N-methylacetamide?
The InChIKey is AWVNVMGCPCFUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-9-17(10-14(18)16-3)11(2)12-5-7-13(15)8-6-12/h5-8,11H,4,9-10,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[1-(4-aminophenyl)ethyl-propylamino]-N-methylacetamide?
2-[1-(4-aminophenyl)ethyl-propylamino]-N-methylacetamide has a molecular weight of 249.36 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-aminophenyl)ethyl-propylamino]-N-methylacetamide is sourced from PubChem (CID 54984241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).