N-benzyl-N-(2,2-dimethylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide

C22H27N3O2 — CID 138997006

IUPACN-benzyl-N-(2,2-dimethylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCC(C)(C)CN(Cc1ccccc1)C(=O)c1cccc(N2CCNC2=O)c1
InChIInChI=1S/C22H27N3O2/c1-22(2,3)16-24(15-17-8-5-4-6-9-17)20(26)18-10-7-11-19(14-18)25-13-12-23-21(25)27/h4-11,14H,12-13,15-16H2,1-3H3,(H,23,27)
InChIKeyQEXHUDWJIKRUBI-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.90
Rot. Bonds5

About N-benzyl-N-(2,2-dimethylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide

N-benzyl-N-(2,2-dimethylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 138997006) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-benzyl-N-(2,2-dimethylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-(2,2-dimethylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID138997006
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-benzyl-N-(2,2-dimethylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCC(C)(C)CN(Cc1ccccc1)C(=O)c1cccc(N2CCNC2=O)c1
InChIInChI=1S/C22H27N3O2/c1-22(2,3)16-24(15-17-8-5-4-6-9-17)20(26)18-10-7-11-19(14-18)25-13-12-23-21(25)27/h4-11,14H,12-13,15-16H2,1-3H3,(H,23,27)
InChIKeyQEXHUDWJIKRUBI-UHFFFAOYSA-N
XLogP3.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 71940813
N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 71939923
N-benzyl-N-[2-(diethylamino)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 60598665
N-[(3,4-dichlorophenyl)methyl]-3-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 47084250
2-[cyclobutyl-[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 146135248
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 139000916
N-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 25369030
tert-butyl N-[2-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]ethyl]carbamate
CID 51095782
2-[ethyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119205713
1-[3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 94823949
1-[3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 94823950
3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2,2-dimethylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-benzyl-N-(2,2-dimethylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide (CID 138997006) is N-benzyl-N-(2,2-dimethylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-benzyl-N-(2,2-dimethylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-benzyl-N-(2,2-dimethylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide is CC(C)(C)CN(Cc1ccccc1)C(=O)c1cccc(N2CCNC2=O)c1.
What is the InChIKey of N-benzyl-N-(2,2-dimethylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is QEXHUDWJIKRUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-22(2,3)16-24(15-17-8-5-4-6-9-17)20(26)18-10-7-11-19(14-18)25-13-12-23-21(25)27/h4-11,14H,12-13,15-16H2,1-3H3,(H,23,27).
What are the key properties of N-benzyl-N-(2,2-dimethylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide?
N-benzyl-N-(2,2-dimethylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 365.48 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2,2-dimethylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 138997006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).