N-methyl-4-[[methyl-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]methyl]benzamide

C21H24N4O3 — CID 9323282

IUPACN-methyl-4-[[methyl-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C21H24N4O3/c1-21(17-7-5-4-6-8-17)19(27)25(20(28)23-21)14-24(3)13-15-9-11-16(12-10-15)18(26)22-2/h4-12H,13-14H2,1-3H3,(H,22,26)(H,23,28)/t21-/m0/s1
InChIKeyXCAXGISEKUFYPC-NRFANRHFSA-N
MW380.45 g/mol
LogP1.90
Rot. Bonds6

About N-methyl-4-[[methyl-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]methyl]benzamide (PubChem CID 9323282) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]methyl]benzamide
PubChem CID9323282
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-methyl-4-[[methyl-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C21H24N4O3/c1-21(17-7-5-4-6-8-17)19(27)25(20(28)23-21)14-24(3)13-15-9-11-16(12-10-15)18(26)22-2/h4-12H,13-14H2,1-3H3,(H,22,26)(H,23,28)/t21-/m0/s1
InChIKeyXCAXGISEKUFYPC-NRFANRHFSA-N
XLogP1.90
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[benzyl(methyl)amino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4215276
4-[[[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methylamino]methyl]-N-methylbenzamide
CID 9323874
methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]azanium
CID 9323287
(5R)-3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 9172206
4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
CID 17410105
N-cyclopropyl-2-[methyl-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]acetamide
CID 9286078
methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate
CID 7242335
4-[[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl-methylamino]methyl]-N-methylbenzamide
CID 9323475
2-[(4-ethylphenyl)methyl-methylamino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8794419
4-[[[2-(dibenzylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003318
N'-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]benzohydrazide
CID 26865674
N-methyl-4-[[methyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]amino]methyl]benzamide
CID 9323622

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]methyl]benzamide (CID 9323282) is N-methyl-4-[[methyl-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]methyl]benzamide?
The InChIKey is XCAXGISEKUFYPC-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-21(17-7-5-4-6-8-17)19(27)25(20(28)23-21)14-24(3)13-15-9-11-16(12-10-15)18(26)22-2/h4-12H,13-14H2,1-3H3,(H,22,26)(H,23,28)/t21-/m0/s1.
What are the key properties of N-methyl-4-[[methyl-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]methyl]benzamide has a molecular weight of 380.45 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]methyl]benzamide is sourced from PubChem (CID 9323282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).