N-[4-[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]phenyl]hexanamide

C19H23N3O5 — CID 7824079

IUPACN-[4-[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(C(=O)CN2C(=O)C(=O)N(CC)C2=O)cc1
InChIInChI=1S/C19H23N3O5/c1-3-5-6-7-16(24)20-14-10-8-13(9-11-14)15(23)12-22-18(26)17(25)21(4-2)19(22)27/h8-11H,3-7,12H2,1-2H3,(H,20,24)
InChIKeyKPLYRVXSRHWSBO-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.20
Rot. Bonds9

About N-[4-[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]phenyl]hexanamide

N-[4-[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]phenyl]hexanamide (PubChem CID 7824079) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[4-[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]phenyl]hexanamide.

Molecular Properties

Compound NameN-[4-[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]phenyl]hexanamide
PubChem CID7824079
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-[4-[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(C(=O)CN2C(=O)C(=O)N(CC)C2=O)cc1
InChIInChI=1S/C19H23N3O5/c1-3-5-6-7-16(24)20-14-10-8-13(9-11-14)15(23)12-22-18(26)17(25)21(4-2)19(22)27/h8-11H,3-7,12H2,1-2H3,(H,20,24)
InChIKeyKPLYRVXSRHWSBO-UHFFFAOYSA-N
XLogP2.20
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide
CID 7960039
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]phenyl]hexanamide
CID 7180897
4-(hexanoylamino)-N-propylbenzamide
CID 17218821
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-(4-nonanoylphenyl)acetamide
CID 65449309
N-[4-[2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]hexanamide
CID 40897642
N-[4-[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]phenyl]hexanamide
CID 7181609
N,N-dimethyl-4-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]benzamide
CID 8626617
N,N-dimethyl-4-(octanoylamino)benzamide
CID 17231205
N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide
CID 4953980
2-methyl-N-[4-[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]phenyl]propanamide
CID 9458022

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]phenyl]hexanamide?
The IUPAC name of N-[4-[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]phenyl]hexanamide (CID 7824079) is N-[4-[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]phenyl]hexanamide.
What is the SMILES notation for N-[4-[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]phenyl]hexanamide?
The canonical SMILES for N-[4-[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]phenyl]hexanamide is CCCCCC(=O)Nc1ccc(C(=O)CN2C(=O)C(=O)N(CC)C2=O)cc1.
What is the InChIKey of N-[4-[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]phenyl]hexanamide?
The InChIKey is KPLYRVXSRHWSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-3-5-6-7-16(24)20-14-10-8-13(9-11-14)15(23)12-22-18(26)17(25)21(4-2)19(22)27/h8-11H,3-7,12H2,1-2H3,(H,20,24).
What are the key properties of N-[4-[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]phenyl]hexanamide?
N-[4-[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]phenyl]hexanamide has a molecular weight of 373.41 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]phenyl]hexanamide is sourced from PubChem (CID 7824079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).