N-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylhexanamide

C21H31N3O3 — CID 4612458

IUPACN-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylhexanamide
SMILESCCCCCC(=O)N(CC(=O)N1CC(=O)N(c2ccc(C)cc2)C1)C(C)C
InChIInChI=1S/C21H31N3O3/c1-5-6-7-8-19(25)23(16(2)3)14-20(26)22-13-21(27)24(15-22)18-11-9-17(4)10-12-18/h9-12,16H,5-8,13-15H2,1-4H3
InChIKeyWZGODVBIMCBFJM-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.95
Rot. Bonds8

About N-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylhexanamide

N-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylhexanamide (PubChem CID 4612458) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylhexanamide.

Molecular Properties

Compound NameN-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylhexanamide
PubChem CID4612458
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylhexanamide
SMILESCCCCCC(=O)N(CC(=O)N1CC(=O)N(c2ccc(C)cc2)C1)C(C)C
InChIInChI=1S/C21H31N3O3/c1-5-6-7-8-19(25)23(16(2)3)14-20(26)22-13-21(27)24(15-22)18-11-9-17(4)10-12-18/h9-12,16H,5-8,13-15H2,1-4H3
InChIKeyWZGODVBIMCBFJM-UHFFFAOYSA-N
XLogP2.95
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide
CID 4168610
3-tert-butyl-1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-propan-2-ylurea
CID 3495066
2-methoxy-N-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)acetamide
CID 42770015
4-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4317229
N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide
CID 42733287
ethyl 4-[[2-[3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate
CID 3412421
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,4-dimethoxy-N-propan-2-ylbenzamide
CID 5145817
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yldodecanamide
CID 3629370
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide
CID 3488840
N-butyl-N-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,2-diphenylacetamide
CID 4258893
N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-methoxy-N-propan-2-ylbenzamide
CID 42770524
N-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 3434054

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylhexanamide?
The IUPAC name of N-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylhexanamide (CID 4612458) is N-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylhexanamide.
What is the SMILES notation for N-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylhexanamide?
The canonical SMILES for N-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylhexanamide is CCCCCC(=O)N(CC(=O)N1CC(=O)N(c2ccc(C)cc2)C1)C(C)C.
What is the InChIKey of N-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylhexanamide?
The InChIKey is WZGODVBIMCBFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-5-6-7-8-19(25)23(16(2)3)14-20(26)22-13-21(27)24(15-22)18-11-9-17(4)10-12-18/h9-12,16H,5-8,13-15H2,1-4H3.
What are the key properties of N-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylhexanamide?
N-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylhexanamide has a molecular weight of 373.50 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylhexanamide is sourced from PubChem (CID 4612458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).