N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-ethyl-N-propylbutanamide

C21H30ClN3O3 — CID 42778597

IUPACN-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-ethyl-N-propylbutanamide
SMILESCCCN(CC(=O)N1CC(=O)N(c2cccc(Cl)c2C)C1)C(=O)C(CC)CC
InChIInChI=1S/C21H30ClN3O3/c1-5-11-23(21(28)16(6-2)7-3)12-19(26)24-13-20(27)25(14-24)18-10-8-9-17(22)15(18)4/h8-10,16H,5-7,11-14H2,1-4H3
InChIKeyJZXWEHNQNOLYRN-UHFFFAOYSA-N
MW407.94 g/mol
LogP3.46
Rot. Bonds8

About N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-ethyl-N-propylbutanamide

N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-ethyl-N-propylbutanamide (PubChem CID 42778597) has the molecular formula C21H30ClN3O3 and a molecular weight of 407.94 g/mol. Its IUPAC name is N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-ethyl-N-propylbutanamide.

Molecular Properties

Compound NameN-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-ethyl-N-propylbutanamide
PubChem CID42778597
Molecular FormulaC21H30ClN3O3
Molecular Weight407.94 g/mol
Exact Mass407.20
IUPAC NameN-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-ethyl-N-propylbutanamide
SMILESCCCN(CC(=O)N1CC(=O)N(c2cccc(Cl)c2C)C1)C(=O)C(CC)CC
InChIInChI=1S/C21H30ClN3O3/c1-5-11-23(21(28)16(6-2)7-3)12-19(26)24-13-20(27)25(14-24)18-10-8-9-17(22)15(18)4/h8-10,16H,5-7,11-14H2,1-4H3
InChIKeyJZXWEHNQNOLYRN-UHFFFAOYSA-N
XLogP3.46
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.94
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylbutanamide
CID 4126436
4-bromo-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 3376374
N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 3460978
N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-dimethoxy-N-(3-methoxypropyl)benzamide
CID 42770707
N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-ethyl-N-(2-methoxyethyl)hexanamide
CID 4183545
4-butyl-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide
CID 4595439
tert-butyl N-[2-[[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]amino]ethyl]carbamate
CID 59434021
N-butyl-N-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,2-diphenylacetamide
CID 4258893
N-[2-[3-(2,3-dimethylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3-hydroxy-N-(2-methoxyethyl)-4-methylbenzamide
CID 70861165
1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 113076702
[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl] 1-(2-amino-1-methoxy-2-oxoethyl)naphthalene-2-carboxylate
CID 91112420
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-ethyl-2,2-dimethylpropanamide
CID 4115941

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-ethyl-N-propylbutanamide?
The IUPAC name of N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-ethyl-N-propylbutanamide (CID 42778597) is N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-ethyl-N-propylbutanamide.
What is the SMILES notation for N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-ethyl-N-propylbutanamide?
The canonical SMILES for N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-ethyl-N-propylbutanamide is CCCN(CC(=O)N1CC(=O)N(c2cccc(Cl)c2C)C1)C(=O)C(CC)CC.
What is the InChIKey of N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-ethyl-N-propylbutanamide?
The InChIKey is JZXWEHNQNOLYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O3/c1-5-11-23(21(28)16(6-2)7-3)12-19(26)24-13-20(27)25(14-24)18-10-8-9-17(22)15(18)4/h8-10,16H,5-7,11-14H2,1-4H3.
What are the key properties of N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-ethyl-N-propylbutanamide?
N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-ethyl-N-propylbutanamide has a molecular weight of 407.94 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-ethyl-N-propylbutanamide is sourced from PubChem (CID 42778597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).