2-(2-oxo-1,3-dihydroimidazol-4-yl)-N,N-dipentylacetamide

C15H27N3O2 — CID 23629744

IUPAC2-(2-oxo-1,3-dihydroimidazol-4-yl)-N,N-dipentylacetamide
SMILESCCCCCN(CCCCC)C(=O)Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C15H27N3O2/c1-3-5-7-9-18(10-8-6-4-2)14(19)11-13-12-16-15(20)17-13/h12H,3-11H2,1-2H3,(H2,16,17,20)
InChIKeyNHOUSKIEFKYTSU-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.45
Rot. Bonds10

About 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N,N-dipentylacetamide

2-(2-oxo-1,3-dihydroimidazol-4-yl)-N,N-dipentylacetamide (PubChem CID 23629744) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N,N-dipentylacetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-dihydroimidazol-4-yl)-N,N-dipentylacetamide
PubChem CID23629744
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-(2-oxo-1,3-dihydroimidazol-4-yl)-N,N-dipentylacetamide
SMILESCCCCCN(CCCCC)C(=O)Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C15H27N3O2/c1-3-5-7-9-18(10-8-6-4-2)14(19)11-13-12-16-15(20)17-13/h12H,3-11H2,1-2H3,(H2,16,17,20)
InChIKeyNHOUSKIEFKYTSU-UHFFFAOYSA-N
XLogP2.45
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-3-propyl-1H-imidazol-2-one
CID 23207465
4-butyl-3-pentyl-1H-imidazol-2-one
CID 23207466
2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]propanamide
CID 71019090
2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide
CID 71019100
4-(2-Oxobutyl)-1,3-dihydroimidazol-2-one
CID 89228982
6-(4-methyl-2-oxo-1H-imidazol-3-yl)hexanamide
CID 141029696
N-[2-(3-ethyl-1,2-dihydroimidazol-5-yl)ethyl]acetamide
CID 142959961
N-[2-(3-methyl-1-propyl-2H-imidazol-4-yl)ethyl]acetamide
CID 142959966
5-butyl-3-propanoyl-1H-imidazol-2-one
CID 150924342
5-hexyl-3-propanoyl-1H-imidazol-2-one
CID 152245880
3-butanoyl-5-butyl-1H-imidazol-2-one
CID 154446074
5-ethyl-3-pentanoyl-1H-imidazol-2-one
CID 154446077

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N,N-dipentylacetamide?
The IUPAC name of 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N,N-dipentylacetamide (CID 23629744) is 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N,N-dipentylacetamide.
What is the SMILES notation for 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N,N-dipentylacetamide?
The canonical SMILES for 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N,N-dipentylacetamide is CCCCCN(CCCCC)C(=O)Cc1c[nH]c(=O)[nH]1.
What is the InChIKey of 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N,N-dipentylacetamide?
The InChIKey is NHOUSKIEFKYTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-3-5-7-9-18(10-8-6-4-2)14(19)11-13-12-16-15(20)17-13/h12H,3-11H2,1-2H3,(H2,16,17,20).
What are the key properties of 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N,N-dipentylacetamide?
2-(2-oxo-1,3-dihydroimidazol-4-yl)-N,N-dipentylacetamide has a molecular weight of 281.40 g/mol, XLogP of 2.45, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N,N-dipentylacetamide is sourced from PubChem (CID 23629744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).