N-[2-(N-acetylanilino)-2-aminoethyl]acetamide

C12H17N3O2 — CID 57313825

IUPACN-[2-(N-acetylanilino)-2-aminoethyl]acetamide
SMILESCC(=O)NCC(N)N(C(C)=O)c1ccccc1
InChIInChI=1S/C12H17N3O2/c1-9(16)14-8-12(13)15(10(2)17)11-6-4-3-5-7-11/h3-7,12H,8,13H2,1-2H3,(H,14,16)
InChIKeyUJBDKWBCWZUVKT-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.46
Rot. Bonds4

About N-[2-(N-acetylanilino)-2-aminoethyl]acetamide

N-[2-(N-acetylanilino)-2-aminoethyl]acetamide (PubChem CID 57313825) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[2-(N-acetylanilino)-2-aminoethyl]acetamide.

Molecular Properties

Compound NameN-[2-(N-acetylanilino)-2-aminoethyl]acetamide
PubChem CID57313825
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-[2-(N-acetylanilino)-2-aminoethyl]acetamide
SMILESCC(=O)NCC(N)N(C(C)=O)c1ccccc1
InChIInChI=1S/C12H17N3O2/c1-9(16)14-8-12(13)15(10(2)17)11-6-4-3-5-7-11/h3-7,12H,8,13H2,1-2H3,(H,14,16)
InChIKeyUJBDKWBCWZUVKT-UHFFFAOYSA-N
XLogP0.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(N-acetylanilino)propanoic acid
CID 821173
N-(3,4-dioxopentan-2-yl)-N-phenylacetamide
CID 15339252
(2S)-2-(N-acetylanilino)-5-amino-5-oxopentanoic acid
CID 25232805
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
N-[(1S)-1-cyclopropylethyl]-N-phenylacetamide
CID 6950629
bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide
CID 175348879
N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]acetamide
CID 9159203
N-(2-phenyl-2-pyridin-2-ylethyl)acetamide
CID 16927789
2-(N-acetylanilino)-N-cyclohexyl-3-methylselanylpropanamide
CID 11531029
N-(2-acetamidoethyl)-N'-methyl-N'-phenyloxamide
CID 47333935
2-(N-methoxycarbonylanilino)butanoic acid
CID 70150820
N-acetyl-3-oxo-N-phenylbutanamide
CID 88604895

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetylanilino)-2-aminoethyl]acetamide?
The IUPAC name of N-[2-(N-acetylanilino)-2-aminoethyl]acetamide (CID 57313825) is N-[2-(N-acetylanilino)-2-aminoethyl]acetamide.
What is the SMILES notation for N-[2-(N-acetylanilino)-2-aminoethyl]acetamide?
The canonical SMILES for N-[2-(N-acetylanilino)-2-aminoethyl]acetamide is CC(=O)NCC(N)N(C(C)=O)c1ccccc1.
What is the InChIKey of N-[2-(N-acetylanilino)-2-aminoethyl]acetamide?
The InChIKey is UJBDKWBCWZUVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(16)14-8-12(13)15(10(2)17)11-6-4-3-5-7-11/h3-7,12H,8,13H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(N-acetylanilino)-2-aminoethyl]acetamide?
N-[2-(N-acetylanilino)-2-aminoethyl]acetamide has a molecular weight of 235.29 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetylanilino)-2-aminoethyl]acetamide is sourced from PubChem (CID 57313825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).