N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide

C17H24N4O4 — CID 91639556

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCCN1CCCC1CNC(=O)C[C@@H]1NC(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C17H24N4O4/c1-2-20-7-3-5-12(20)10-18-15(22)9-14-16(23)21(17(24)19-14)11-13-6-4-8-25-13/h4,6,8,12,14H,2-3,5,7,9-11H2,1H3,(H,18,22)(H,19,24)/t12?,14-/m0/s1
InChIKeyKXUWXNISRTYLFX-PYMCNQPYSA-N
MW348.40 g/mol
LogP0.69
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 91639556) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID91639556
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCCN1CCCC1CNC(=O)C[C@@H]1NC(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C17H24N4O4/c1-2-20-7-3-5-12(20)10-18-15(22)9-14-16(23)21(17(24)19-14)11-13-6-4-8-25-13/h4,6,8,12,14H,2-3,5,7,9-11H2,1H3,(H,18,22)(H,19,24)/t12?,14-/m0/s1
InChIKeyKXUWXNISRTYLFX-PYMCNQPYSA-N
XLogP0.69
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91639661
2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111035936
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124673769
2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 126418599
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide
CID 94017739
1-(1-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 115621753
2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]acetamide
CID 124862622
3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
CID 91822594
3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 124847936
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 122169377
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 126417608
3-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
CID 91639452

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide (CID 91639556) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide is CCN1CCCC1CNC(=O)C[C@@H]1NC(=O)N(Cc2ccco2)C1=O.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is KXUWXNISRTYLFX-PYMCNQPYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-2-20-7-3-5-12(20)10-18-15(22)9-14-16(23)21(17(24)19-14)11-13-6-4-8-25-13/h4,6,8,12,14H,2-3,5,7,9-11H2,1H3,(H,18,22)(H,19,24)/t12?,14-/m0/s1.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 348.40 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 91639556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).