2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

C21H22N4O5 — CID 8924194

IUPAC2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCN(CC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C21H22N4O5/c1-21(15-6-4-3-5-7-15)19(27)25(20(28)22-21)23-18(26)12-24(2)11-14-8-9-16-17(10-14)30-13-29-16/h3-10H,11-13H2,1-2H3,(H,22,28)(H,23,26)/t21-/m0/s1
InChIKeyVYMMVCNIGLYVBZ-NRFANRHFSA-N
MW410.43 g/mol
LogP1.35
Rot. Bonds6

About 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 8924194) has the molecular formula C21H22N4O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID8924194
Molecular FormulaC21H22N4O5
Molecular Weight410.43 g/mol
Exact Mass410.16
IUPAC Name2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCN(CC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C21H22N4O5/c1-21(15-6-4-3-5-7-15)19(27)25(20(28)22-21)23-18(26)12-24(2)11-14-8-9-16-17(10-14)30-13-29-16/h3-10H,11-13H2,1-2H3,(H,22,28)(H,23,26)/t21-/m0/s1
InChIKeyVYMMVCNIGLYVBZ-NRFANRHFSA-N
XLogP1.35
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
CID 8599891
2-[(4-ethylphenyl)methyl-methylamino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8794419
N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]acetamide
CID 40798319
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8694880
2-[furan-2-ylmethyl(methyl)amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8619208
N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 8804417
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42901724
3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide
CID 46657706
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 8924126
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 47099545
1-(1,3-benzodioxol-5-ylmethyl)-3-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]thiourea
CID 41013708
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
CID 9261592

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 8924194) is 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is CN(CC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is VYMMVCNIGLYVBZ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22N4O5/c1-21(15-6-4-3-5-7-15)19(27)25(20(28)22-21)23-18(26)12-24(2)11-14-8-9-16-17(10-14)30-13-29-16/h3-10H,11-13H2,1-2H3,(H,22,28)(H,23,26)/t21-/m0/s1.
What are the key properties of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 410.43 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 8924194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).