N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

C25H30N4O6 — CID 32749513

IUPACN-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESCOc1ccc([C@@H](CNC(=O)c2ccccc2CN2C(=O)CNC2=O)N2CCOCC2)cc1OC
InChIInChI=1S/C25H30N4O6/c1-33-21-8-7-17(13-22(21)34-2)20(28-9-11-35-12-10-28)14-26-24(31)19-6-4-3-5-18(19)16-29-23(30)15-27-25(29)32/h3-8,13,20H,9-12,14-16H2,1-2H3,(H,26,31)(H,27,32)/t20-/m1/s1
InChIKeyBBCQPOVIGNADHH-HXUWFJFHSA-N
MW482.54 g/mol
LogP1.56
Rot. Bonds9

About N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (PubChem CID 32749513) has the molecular formula C25H30N4O6 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
PubChem CID32749513
Molecular FormulaC25H30N4O6
Molecular Weight482.54 g/mol
Exact Mass482.22
IUPAC NameN-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESCOc1ccc([C@@H](CNC(=O)c2ccccc2CN2C(=O)CNC2=O)N2CCOCC2)cc1OC
InChIInChI=1S/C25H30N4O6/c1-33-21-8-7-17(13-22(21)34-2)20(28-9-11-35-12-10-28)14-26-24(31)19-6-4-3-5-18(19)16-29-23(30)15-27-25(29)32/h3-8,13,20H,9-12,14-16H2,1-2H3,(H,26,31)(H,27,32)/t20-/m1/s1
InChIKeyBBCQPOVIGNADHH-HXUWFJFHSA-N
XLogP1.56
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 42893512
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51200983
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 30549337
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(1H-indol-3-yl)acetamide
CID 46517704
3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 119830154
1-benzyl-3-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]urea
CID 47012803
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55382996
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 52536756
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 25487273
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 46525244
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 39110513

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (CID 32749513) is N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is COc1ccc([C@@H](CNC(=O)c2ccccc2CN2C(=O)CNC2=O)N2CCOCC2)cc1OC.
What is the InChIKey of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The InChIKey is BBCQPOVIGNADHH-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H30N4O6/c1-33-21-8-7-17(13-22(21)34-2)20(28-9-11-35-12-10-28)14-26-24(31)19-6-4-3-5-18(19)16-29-23(30)15-27-25(29)32/h3-8,13,20H,9-12,14-16H2,1-2H3,(H,26,31)(H,27,32)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide has a molecular weight of 482.54 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 32749513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).