N-(cyclobutylmethyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

C16H19N3O3 — CID 33381394

IUPACN-(cyclobutylmethyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESO=C(NCC1CCC1)c1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C16H19N3O3/c20-14-9-18-16(22)19(14)10-12-5-2-6-13(7-12)15(21)17-8-11-3-1-4-11/h2,5-7,11H,1,3-4,8-10H2,(H,17,21)(H,18,22)
InChIKeyRVGPYULNMLLGQD-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.27
Rot. Bonds5

About N-(cyclobutylmethyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

N-(cyclobutylmethyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (PubChem CID 33381394) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
PubChem CID33381394
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(cyclobutylmethyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESO=C(NCC1CCC1)c1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C16H19N3O3/c20-14-9-18-16(22)19(14)10-12-5-2-6-13(7-12)15(21)17-8-11-3-1-4-11/h2,5-7,11H,1,3-4,8-10H2,(H,17,21)(H,18,22)
InChIKeyRVGPYULNMLLGQD-UHFFFAOYSA-N
XLogP1.27
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 98845228
(2R)-2-[[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]amino]propanoic acid
CID 119370008
N-[[(3S)-1-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 52519272
3-(2-aminoethyl)-N-(cyclobutylmethyl)benzamide
CID 62592961
3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119393878
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 32754604
4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510545
N-(2,4-dimethylphenyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 35438664
3-[[3-(2-phenylpyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
CID 47019593
3-amino-N-(cyclobutylmethyl)benzamide
CID 43298160
3-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
CID 124614078
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 46517134

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(cyclobutylmethyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (CID 33381394) is N-(cyclobutylmethyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(cyclobutylmethyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is O=C(NCC1CCC1)c1cccc(CN2C(=O)CNC2=O)c1.
What is the InChIKey of N-(cyclobutylmethyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The InChIKey is RVGPYULNMLLGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-14-9-18-16(22)19(14)10-12-5-2-6-13(7-12)15(21)17-8-11-3-1-4-11/h2,5-7,11H,1,3-4,8-10H2,(H,17,21)(H,18,22).
What are the key properties of N-(cyclobutylmethyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
N-(cyclobutylmethyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide has a molecular weight of 301.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 33381394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).