N,N-dicyclohexyl-2-[4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C26H37N3O4 — CID 4780704

IUPACN,N-dicyclohexyl-2-[4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccccc1CC1(C)NC(=O)N(CC(=O)N(C2CCCCC2)C2CCCCC2)C1=O
InChIInChI=1S/C26H37N3O4/c1-26(17-19-11-9-10-16-22(19)33-2)24(31)28(25(32)27-26)18-23(30)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h9-11,16,20-21H,3-8,12-15,17-18H2,1-2H3,(H,27,32)
InChIKeyDVAZGPPPIBNXDP-UHFFFAOYSA-N
MW455.60 g/mol
LogP4.04
Rot. Bonds7

About N,N-dicyclohexyl-2-[4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N,N-dicyclohexyl-2-[4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 4780704) has the molecular formula C26H37N3O4 and a molecular weight of 455.60 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-[4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-[4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID4780704
Molecular FormulaC26H37N3O4
Molecular Weight455.60 g/mol
Exact Mass455.28
IUPAC NameN,N-dicyclohexyl-2-[4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccccc1CC1(C)NC(=O)N(CC(=O)N(C2CCCCC2)C2CCCCC2)C1=O
InChIInChI=1S/C26H37N3O4/c1-26(17-19-11-9-10-16-22(19)33-2)24(31)28(25(32)27-26)18-23(30)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h9-11,16,20-21H,3-8,12-15,17-18H2,1-2H3,(H,27,32)
InChIKeyDVAZGPPPIBNXDP-UHFFFAOYSA-N
XLogP4.04
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7565321
(5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 7566809
(5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7566272
(5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 2541213
(5S)-5-[(2-methoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7566086
N-tert-butyl-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7565842
2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 7565917
2-[[2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-propan-2-ylacetamide
CID 8581604
N-(2,6-diethylphenyl)-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7566562
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
CID 26918173
N-(4-ethoxyphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7566766
N,N-dicyclohexyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42982708

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-[4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N,N-dicyclohexyl-2-[4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 4780704) is N,N-dicyclohexyl-2-[4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-[4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-[4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccccc1CC1(C)NC(=O)N(CC(=O)N(C2CCCCC2)C2CCCCC2)C1=O.
What is the InChIKey of N,N-dicyclohexyl-2-[4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is DVAZGPPPIBNXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O4/c1-26(17-19-11-9-10-16-22(19)33-2)24(31)28(25(32)27-26)18-23(30)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h9-11,16,20-21H,3-8,12-15,17-18H2,1-2H3,(H,27,32).
What are the key properties of N,N-dicyclohexyl-2-[4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N,N-dicyclohexyl-2-[4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 455.60 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-[4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 4780704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).