N-(2-ethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide

C25H32N4O3 — CID 53098535

IUPACN-(2-ethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(N2CCN(Cc3ccc(C)cc3)C2=O)CC1
InChIInChI=1S/C25H32N4O3/c1-3-32-23-7-5-4-6-22(23)26-24(30)27-14-12-21(13-15-27)29-17-16-28(25(29)31)18-20-10-8-19(2)9-11-20/h4-11,21H,3,12-18H2,1-2H3,(H,26,30)
InChIKeyQXUDLZWRTVQHGD-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.33
Rot. Bonds6

About N-(2-ethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide

N-(2-ethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide (PubChem CID 53098535) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
PubChem CID53098535
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-(2-ethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(N2CCN(Cc3ccc(C)cc3)C2=O)CC1
InChIInChI=1S/C25H32N4O3/c1-3-32-23-7-5-4-6-22(23)26-24(30)27-14-12-21(13-15-27)29-17-16-28(25(29)31)18-20-10-8-19(2)9-11-20/h4-11,21H,3,12-18H2,1-2H3,(H,26,30)
InChIKeyQXUDLZWRTVQHGD-UHFFFAOYSA-N
XLogP4.33
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
CID 53098533
4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 53098611
4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-bromophenyl)piperidine-1-carboxamide
CID 53098595
4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 53098565
4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide
CID 53098591
N-(2,3-dimethylphenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
CID 53098642
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
N-(2,4-difluorophenyl)-4-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide
CID 53094546
N-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide
CID 121151383
(3R)-3-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide
CID 95101218
ethyl 4-[[4-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]piperidine-1-carbonyl]amino]benzoate
CID 53094534
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide (CID 53098535) is N-(2-ethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCC(N2CCN(Cc3ccc(C)cc3)C2=O)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The InChIKey is QXUDLZWRTVQHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-3-32-23-7-5-4-6-22(23)26-24(30)27-14-12-21(13-15-27)29-17-16-28(25(29)31)18-20-10-8-19(2)9-11-20/h4-11,21H,3,12-18H2,1-2H3,(H,26,30).
What are the key properties of N-(2-ethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
N-(2-ethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 53098535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).