3,3-dicyclopropyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]prop-2-enamide

C19H21N3O3 — CID 97021835

IUPAC3,3-dicyclopropyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]prop-2-enamide
SMILESC[C@@]1(c2cccc(NC(=O)C=C(C3CC3)C3CC3)c2)NC(=O)NC1=O
InChIInChI=1S/C19H21N3O3/c1-19(17(24)21-18(25)22-19)13-3-2-4-14(9-13)20-16(23)10-15(11-5-6-11)12-7-8-12/h2-4,9-12H,5-8H2,1H3,(H,20,23)(H2,21,22,24,25)/t19-/m0/s1
InChIKeyNDVDVGHJKYXKEX-IBGZPJMESA-N
MW339.39 g/mol
LogP2.43
Rot. Bonds5

About 3,3-dicyclopropyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]prop-2-enamide

3,3-dicyclopropyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]prop-2-enamide (PubChem CID 97021835) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 3,3-dicyclopropyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name3,3-dicyclopropyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]prop-2-enamide
PubChem CID97021835
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name3,3-dicyclopropyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]prop-2-enamide
SMILESC[C@@]1(c2cccc(NC(=O)C=C(C3CC3)C3CC3)c2)NC(=O)NC1=O
InChIInChI=1S/C19H21N3O3/c1-19(17(24)21-18(25)22-19)13-3-2-4-14(9-13)20-16(23)10-15(11-5-6-11)12-7-8-12/h2-4,9-12H,5-8H2,1H3,(H,20,23)(H2,21,22,24,25)/t19-/m0/s1
InChIKeyNDVDVGHJKYXKEX-IBGZPJMESA-N
XLogP2.43
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.43
H-Bond Donors ≤ 53
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

3-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]cyclohexane-1-carboxamide
CID 119728478
7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide
CID 119728470
1-(2,2-dimethylpropanoyl)-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]piperidine-4-carboxamide
CID 51949323
2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481
2-amino-3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide
CID 119292140
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide
CID 51983587
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 52502832
5-(4-bromophenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pentanamide
CID 60513548
4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide
CID 122159303
5-bromo-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carboxamide
CID 51949297
N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 166186372
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]prop-2-enamide
CID 55735522

Frequently Asked Questions

What is the IUPAC name of 3,3-dicyclopropyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]prop-2-enamide?
The IUPAC name of 3,3-dicyclopropyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]prop-2-enamide (CID 97021835) is 3,3-dicyclopropyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]prop-2-enamide.
What is the SMILES notation for 3,3-dicyclopropyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]prop-2-enamide?
The canonical SMILES for 3,3-dicyclopropyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]prop-2-enamide is C[C@@]1(c2cccc(NC(=O)C=C(C3CC3)C3CC3)c2)NC(=O)NC1=O.
What is the InChIKey of 3,3-dicyclopropyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]prop-2-enamide?
The InChIKey is NDVDVGHJKYXKEX-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21N3O3/c1-19(17(24)21-18(25)22-19)13-3-2-4-14(9-13)20-16(23)10-15(11-5-6-11)12-7-8-12/h2-4,9-12H,5-8H2,1H3,(H,20,23)(H2,21,22,24,25)/t19-/m0/s1.
What are the key properties of 3,3-dicyclopropyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]prop-2-enamide?
3,3-dicyclopropyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]prop-2-enamide has a molecular weight of 339.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dicyclopropyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 97021835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).