N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetamide

C16H23N5O3 — CID 51984005

IUPACN-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCC[C@]1(C)NC(=O)N(NC(=O)CN2CCC[C@@H]2c2ccc[nH]2)C1=O
InChIInChI=1S/C16H23N5O3/c1-3-16(2)14(23)21(15(24)18-16)19-13(22)10-20-9-5-7-12(20)11-6-4-8-17-11/h4,6,8,12,17H,3,5,7,9-10H2,1-2H3,(H,18,24)(H,19,22)/t12-,16+/m1/s1
InChIKeyNFZLWXCDTYKLCS-WBMJQRKESA-N
MW333.39 g/mol
LogP0.90
Rot. Bonds5

About N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetamide

N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetamide (PubChem CID 51984005) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetamide
PubChem CID51984005
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC NameN-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCC[C@]1(C)NC(=O)N(NC(=O)CN2CCC[C@@H]2c2ccc[nH]2)C1=O
InChIInChI=1S/C16H23N5O3/c1-3-16(2)14(23)21(15(24)18-16)19-13(22)10-20-9-5-7-12(20)11-6-4-8-17-11/h4,6,8,12,17H,3,5,7,9-10H2,1-2H3,(H,18,24)(H,19,22)/t12-,16+/m1/s1
InChIKeyNFZLWXCDTYKLCS-WBMJQRKESA-N
XLogP0.90
TPSA97.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide
CID 55828676
2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 46549067
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 17423661
N-cyclopropyl-2-[4-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30737456
2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 86952049
N-(2,6-dimethylphenyl)-2-[4-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 43013305
2-(4-acetylpiperazin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 43012937
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 11931716
N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 34205711
2-[benzyl(cyclopropyl)amino]-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 34205258
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CID 55766346
N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 30639631

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetamide (CID 51984005) is N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetamide is CC[C@]1(C)NC(=O)N(NC(=O)CN2CCC[C@@H]2c2ccc[nH]2)C1=O.
What is the InChIKey of N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is NFZLWXCDTYKLCS-WBMJQRKESA-N. The full InChI is InChI=1S/C16H23N5O3/c1-3-16(2)14(23)21(15(24)18-16)19-13(22)10-20-9-5-7-12(20)11-6-4-8-17-11/h4,6,8,12,17H,3,5,7,9-10H2,1-2H3,(H,18,24)(H,19,22)/t12-,16+/m1/s1.
What are the key properties of N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetamide?
N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 333.39 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 51984005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).