N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide

C22H26N4O4 — CID 8789179

IUPACN-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)Cc2cccc(OC)c2)C1=O
InChIInChI=1S/C22H26N4O4/c1-4-22(17-10-6-5-7-11-17)20(28)26(21(29)23-22)24-19(27)15-25(2)14-16-9-8-12-18(13-16)30-3/h5-13H,4,14-15H2,1-3H3,(H,23,29)(H,24,27)/t22-/m0/s1
InChIKeyDGPAJXKJWVCTFQ-QFIPXVFZSA-N
MW410.47 g/mol
LogP2.02
Rot. Bonds8

About N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide

N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide (PubChem CID 8789179) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
PubChem CID8789179
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)Cc2cccc(OC)c2)C1=O
InChIInChI=1S/C22H26N4O4/c1-4-22(17-10-6-5-7-11-17)20(28)26(21(29)23-22)24-19(27)15-25(2)14-16-9-8-12-18(13-16)30-3/h5-13H,4,14-15H2,1-3H3,(H,23,29)(H,24,27)/t22-/m0/s1
InChIKeyDGPAJXKJWVCTFQ-QFIPXVFZSA-N
XLogP2.02
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.02
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-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 43013055
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8791201
3-[[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]methyl]benzamide
CID 56501849
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 24665083
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-phenylpropanamide
CID 9293628
N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
CID 8599891
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(2-methoxyphenoxy)acetamide
CID 9293917
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(4-fluorophenoxy)acetamide
CID 9012529
2-[(4-ethylphenyl)methyl-methylamino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8794419
(3-methoxyphenyl)methyl-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
CID 8788750
2-(4-ethoxyphenoxy)-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 9294106
2-(3-cyanophenoxy)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 9334906

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide (CID 8789179) is N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide is CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)Cc2cccc(OC)c2)C1=O.
What is the InChIKey of N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is DGPAJXKJWVCTFQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-4-22(17-10-6-5-7-11-17)20(28)26(21(29)23-22)24-19(27)15-25(2)14-16-9-8-12-18(13-16)30-3/h5-13H,4,14-15H2,1-3H3,(H,23,29)(H,24,27)/t22-/m0/s1.
What are the key properties of N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide?
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 410.47 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 8789179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).