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

C13H23N3O2 — CID 23629713

IUPACN,N-dibutyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
SMILESCCCCN(CCCC)C(=O)Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-3-5-7-16(8-6-4-2)12(17)9-11-10-14-13(18)15-11/h10H,3-9H2,1-2H3,(H2,14,15,18)
InChIKeyPEXLPGOXKRTONU-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.67
Rot. Bonds8

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

N,N-dibutyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide (PubChem CID 23629713) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N,N-dibutyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
PubChem CID23629713
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN,N-dibutyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
SMILESCCCCN(CCCC)C(=O)Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-3-5-7-16(8-6-4-2)12(17)9-11-10-14-13(18)15-11/h10H,3-9H2,1-2H3,(H2,14,15,18)
InChIKeyPEXLPGOXKRTONU-UHFFFAOYSA-N
XLogP1.67
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]acetamide
CID 71019089
2-[3-(2-fluoroethyl)-2-oxo-1H-imidazol-5-yl]acetamide
CID 89193221
4-(2-Oxopropyl)-1,3-dihydroimidazol-2-one
CID 68390283
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
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
3-butanoyl-5-ethyl-1H-imidazol-2-one
CID 154446076
N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 155028673
(Z)-4-amino-3-[[carbamoyl(methyl)carbamoyl]amino]but-3-enamide
CID 164055200
(Z)-3-amino-N-methyl-N-propan-2-yl-4-(propan-2-ylamino)but-3-enamide
CID 170356587

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide?
The IUPAC name of N,N-dibutyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide (CID 23629713) is N,N-dibutyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide.
What is the SMILES notation for N,N-dibutyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide?
The canonical SMILES for N,N-dibutyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide is CCCCN(CCCC)C(=O)Cc1c[nH]c(=O)[nH]1.
What is the InChIKey of N,N-dibutyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide?
The InChIKey is PEXLPGOXKRTONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-5-7-16(8-6-4-2)12(17)9-11-10-14-13(18)15-11/h10H,3-9H2,1-2H3,(H2,14,15,18).
What are the key properties of N,N-dibutyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide?
N,N-dibutyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide has a molecular weight of 253.35 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide is sourced from PubChem (CID 23629713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).