2-(2-aminoethoxy)-N-(4-imidazol-1-ylbutyl)acetamide

C11H20N4O2 — CID 79478466

IUPAC2-(2-aminoethoxy)-N-(4-imidazol-1-ylbutyl)acetamide
SMILESNCCOCC(=O)NCCCCn1ccnc1
InChIInChI=1S/C11H20N4O2/c12-3-8-17-9-11(16)14-4-1-2-6-15-7-5-13-10-15/h5,7,10H,1-4,6,8-9,12H2,(H,14,16)
InChIKeyVCOYVXJTFZXLQV-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.25
Rot. Bonds9

About 2-(2-aminoethoxy)-N-(4-imidazol-1-ylbutyl)acetamide

2-(2-aminoethoxy)-N-(4-imidazol-1-ylbutyl)acetamide (PubChem CID 79478466) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(4-imidazol-1-ylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(4-imidazol-1-ylbutyl)acetamide
PubChem CID79478466
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-(2-aminoethoxy)-N-(4-imidazol-1-ylbutyl)acetamide
SMILESNCCOCC(=O)NCCCCn1ccnc1
InChIInChI=1S/C11H20N4O2/c12-3-8-17-9-11(16)14-4-1-2-6-15-7-5-13-10-15/h5,7,10H,1-4,6,8-9,12H2,(H,14,16)
InChIKeyVCOYVXJTFZXLQV-UHFFFAOYSA-N
XLogP-0.25
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-imidazol-1-ylbutyl)acetamide;hydrochloride
CID 146083026
7-amino-N-(3-imidazol-1-ylpropyl)heptanamide
CID 28994147
N-(2-aminoethyl)-5-[3-(3-imidazol-1-ylpropylamino)-3-oxopropoxy]-4,4-bis[[3-(3-imidazol-1-ylpropylamino)-3-oxopropoxy]methyl]pentanamide
CID 25026789
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
3-imidazol-1-ylpropylurea
CID 22179621
N-(2-imidazol-1-ylethyl)-2-methoxyacetamide
CID 60724975
2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
CID 28993548
2-cyano-N-(6-imidazol-1-ylhexyl)acetamide
CID 110444916
2-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]sulfanylacetic acid
CID 104569804
propan-2-yl N-(4-imidazol-1-ylbutyl)carbamate
CID 116655262
N-(5-imidazol-1-ylpentyl)-3-methylbutanamide
CID 110442138
5-amino-N-(4-imidazol-1-ylbutyl)-2-methylpentanamide
CID 104684937

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(4-imidazol-1-ylbutyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(4-imidazol-1-ylbutyl)acetamide (CID 79478466) is 2-(2-aminoethoxy)-N-(4-imidazol-1-ylbutyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(4-imidazol-1-ylbutyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(4-imidazol-1-ylbutyl)acetamide is NCCOCC(=O)NCCCCn1ccnc1.
What is the InChIKey of 2-(2-aminoethoxy)-N-(4-imidazol-1-ylbutyl)acetamide?
The InChIKey is VCOYVXJTFZXLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c12-3-8-17-9-11(16)14-4-1-2-6-15-7-5-13-10-15/h5,7,10H,1-4,6,8-9,12H2,(H,14,16).
What are the key properties of 2-(2-aminoethoxy)-N-(4-imidazol-1-ylbutyl)acetamide?
2-(2-aminoethoxy)-N-(4-imidazol-1-ylbutyl)acetamide has a molecular weight of 240.31 g/mol, XLogP of -0.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(4-imidazol-1-ylbutyl)acetamide is sourced from PubChem (CID 79478466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).