2-[1-(4-aminophenyl)ethyl-ethylamino]acetamide

C12H19N3O — CID 103101327

IUPAC2-[1-(4-aminophenyl)ethyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)C(C)c1ccc(N)cc1
InChIInChI=1S/C12H19N3O/c1-3-15(8-12(14)16)9(2)10-4-6-11(13)7-5-10/h4-7,9H,3,8,13H2,1-2H3,(H2,14,16)
InChIKeySGFUGHLKWMFZHR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.14
Rot. Bonds5

About 2-[1-(4-aminophenyl)ethyl-ethylamino]acetamide

2-[1-(4-aminophenyl)ethyl-ethylamino]acetamide (PubChem CID 103101327) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[1-(4-aminophenyl)ethyl-ethylamino]acetamide.

Molecular Properties

Compound Name2-[1-(4-aminophenyl)ethyl-ethylamino]acetamide
PubChem CID103101327
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[1-(4-aminophenyl)ethyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)C(C)c1ccc(N)cc1
InChIInChI=1S/C12H19N3O/c1-3-15(8-12(14)16)9(2)10-4-6-11(13)7-5-10/h4-7,9H,3,8,13H2,1-2H3,(H2,14,16)
InChIKeySGFUGHLKWMFZHR-UHFFFAOYSA-N
XLogP1.14
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.14
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-(4-aminophenyl)ethyl-propylamino]-N-methylacetamide
CID 54984241
2-[ethyl(propan-2-yl)amino]acetamide
CID 22371770
N-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide
CID 62921681
methyl 5-[1-[(2-amino-2-oxoethyl)-ethylamino]ethyl]furan-2-carboxylate
CID 103102938
2-[[2-(4-aminophenyl)-2-hydroxyethyl]-butylamino]acetamide
CID 62265584
2-(diethylamino)-2-(4-propan-2-ylphenyl)acetamide
CID 112510339
3-[ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]-2-methylpropanoic acid
CID 65060726
N'-ethyl-N'-[1-(4-propan-2-ylphenyl)ethyl]ethane-1,2-diamine
CID 114231042
2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 65065744
4-[1-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 61423197
2-[1-(4-hydroxyphenyl)ethyl-propan-2-ylamino]acetamide
CID 82978295
2-[ethyl-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 103103066

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-aminophenyl)ethyl-ethylamino]acetamide?
The IUPAC name of 2-[1-(4-aminophenyl)ethyl-ethylamino]acetamide (CID 103101327) is 2-[1-(4-aminophenyl)ethyl-ethylamino]acetamide.
What is the SMILES notation for 2-[1-(4-aminophenyl)ethyl-ethylamino]acetamide?
The canonical SMILES for 2-[1-(4-aminophenyl)ethyl-ethylamino]acetamide is CCN(CC(N)=O)C(C)c1ccc(N)cc1.
What is the InChIKey of 2-[1-(4-aminophenyl)ethyl-ethylamino]acetamide?
The InChIKey is SGFUGHLKWMFZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-15(8-12(14)16)9(2)10-4-6-11(13)7-5-10/h4-7,9H,3,8,13H2,1-2H3,(H2,14,16).
What are the key properties of 2-[1-(4-aminophenyl)ethyl-ethylamino]acetamide?
2-[1-(4-aminophenyl)ethyl-ethylamino]acetamide has a molecular weight of 221.30 g/mol, XLogP of 1.14, 5 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-ethylamino]acetamide is sourced from PubChem (CID 103101327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).