N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide

C23H28N4O3 — CID 124850987

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCCN1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C23H28N4O3/c1-2-26-14-6-9-17(26)15-24-21(28)13-12-19-22(29)27(23(30)25-19)20-11-5-8-16-7-3-4-10-18(16)20/h3-5,7-8,10-11,17,19H,2,6,9,12-15H2,1H3,(H,24,28)(H,25,30)/t17-,19-/m0/s1
InChIKeyRNEWONJCLMSXPD-HKUYNNGSSA-N
MW408.50 g/mol
LogP2.65
Rot. Bonds7

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 124850987) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID124850987
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCCN1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C23H28N4O3/c1-2-26-14-6-9-17(26)15-24-21(28)13-12-19-22(29)27(23(30)25-19)20-11-5-8-16-7-3-4-10-18(16)20/h3-5,7-8,10-11,17,19H,2,6,9,12-15H2,1H3,(H,24,28)(H,25,30)/t17-,19-/m0/s1
InChIKeyRNEWONJCLMSXPD-HKUYNNGSSA-N
XLogP2.65
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.65
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-[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-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 124673763
3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 124841892
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 126418695
3-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
CID 91639452
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-naphthalen-1-ylthiourea
CID 71903120
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-4-yl]propanamide
CID 26394365
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide
CID 94173628
3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 124673723
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]propanamide
CID 45219288

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide (CID 124850987) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide is CCN1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(c2cccc3ccccc23)C1=O.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is RNEWONJCLMSXPD-HKUYNNGSSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-2-26-14-6-9-17(26)15-24-21(28)13-12-19-22(29)27(23(30)25-19)20-11-5-8-16-7-3-4-10-18(16)20/h3-5,7-8,10-11,17,19H,2,6,9,12-15H2,1H3,(H,24,28)(H,25,30)/t17-,19-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 408.50 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 124850987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).