N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetamide

C20H28N4O4 — CID 51934849

IUPACN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetamide
SMILESCC(C)[C@H]1NC(=O)N(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1=O
InChIInChI=1S/C20H28N4O4/c1-14(2)18-19(26)24(20(27)22-18)13-17(25)21-10-16-12-23(8-9-28-16)11-15-6-4-3-5-7-15/h3-7,14,16,18H,8-13H2,1-2H3,(H,21,25)(H,22,27)/t16-,18+/m0/s1
InChIKeyPXXLREINXJQNCR-FUHWJXTLSA-N
MW388.47 g/mol
LogP0.58
Rot. Bonds7

About N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetamide

N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetamide (PubChem CID 51934849) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetamide
PubChem CID51934849
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC NameN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetamide
SMILESCC(C)[C@H]1NC(=O)N(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1=O
InChIInChI=1S/C20H28N4O4/c1-14(2)18-19(26)24(20(27)22-18)13-17(25)21-10-16-12-23(8-9-28-16)11-15-6-4-3-5-7-15/h3-7,14,16,18H,8-13H2,1-2H3,(H,21,25)(H,22,27)/t16-,18+/m0/s1
InChIKeyPXXLREINXJQNCR-FUHWJXTLSA-N
XLogP0.58
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide
CID 43006679
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 8504076
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride
CID 119829861
2-[4-[2-[(4-benzylmorpholin-2-yl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 24574968
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98460088
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide
CID 119829842

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetamide?
The IUPAC name of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetamide (CID 51934849) is N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetamide is CC(C)[C@H]1NC(=O)N(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1=O.
What is the InChIKey of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetamide?
The InChIKey is PXXLREINXJQNCR-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-14(2)18-19(26)24(20(27)22-18)13-17(25)21-10-16-12-23(8-9-28-16)11-15-6-4-3-5-7-15/h3-7,14,16,18H,8-13H2,1-2H3,(H,21,25)(H,22,27)/t16-,18+/m0/s1.
What are the key properties of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetamide?
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetamide has a molecular weight of 388.47 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 51934849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).