3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide

C19H21N3O3 — CID 71889492

IUPAC3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide
SMILESO=C(C=C(C1CC1)C1CC1)Nc1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C19H21N3O3/c23-17(9-16(13-4-5-13)14-6-7-14)21-15-3-1-2-12(8-15)11-22-18(24)10-20-19(22)25/h1-3,8-9,13-14H,4-7,10-11H2,(H,20,25)(H,21,23)
InChIKeyGBEWRPQSGZNDPF-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.42
Rot. Bonds6

About 3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide

3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide (PubChem CID 71889492) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide
PubChem CID71889492
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide
SMILESO=C(C=C(C1CC1)C1CC1)Nc1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C19H21N3O3/c23-17(9-16(13-4-5-13)14-6-7-14)21-15-3-1-2-12(8-15)11-22-18(24)10-20-19(22)25/h1-3,8-9,13-14H,4-7,10-11H2,(H,20,25)(H,21,23)
InChIKeyGBEWRPQSGZNDPF-UHFFFAOYSA-N
XLogP2.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide
CID 119288678
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 119288680
2-(2,6-dimethylphenoxy)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 55617163
(2S)-2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119288695
1-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 48806971
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55617249
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-methylpentanamide;hydrochloride
CID 119722221
3-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 47054951
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 55617218
4-bromo-2-chloro-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide
CID 60509721
2-[(2-chlorophenyl)methoxy]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 47054953
1-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-[phenyl(1H-1,2,4-triazol-5-yl)methyl]urea
CID 166217410

Frequently Asked Questions

What is the IUPAC name of 3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide?
The IUPAC name of 3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide (CID 71889492) is 3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide.
What is the SMILES notation for 3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide?
The canonical SMILES for 3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide is O=C(C=C(C1CC1)C1CC1)Nc1cccc(CN2C(=O)CNC2=O)c1.
What is the InChIKey of 3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide?
The InChIKey is GBEWRPQSGZNDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-17(9-16(13-4-5-13)14-6-7-14)21-15-3-1-2-12(8-15)11-22-18(24)10-20-19(22)25/h1-3,8-9,13-14H,4-7,10-11H2,(H,20,25)(H,21,23).
What are the key properties of 3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide?
3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide has a molecular weight of 339.40 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 71889492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).