N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C19H27N3O3 — CID 24605906

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(C(C)NC(=O)CN2C(=O)NC(CC(C)C)C2=O)cc1C
InChIInChI=1S/C19H27N3O3/c1-11(2)8-16-18(24)22(19(25)21-16)10-17(23)20-14(5)15-7-6-12(3)13(4)9-15/h6-7,9,11,14,16H,8,10H2,1-5H3,(H,20,23)(H,21,25)
InChIKeyBCDMLIVBDNUBPO-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.45
Rot. Bonds6

About N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 24605906) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID24605906
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(C(C)NC(=O)CN2C(=O)NC(CC(C)C)C2=O)cc1C
InChIInChI=1S/C19H27N3O3/c1-11(2)8-16-18(24)22(19(25)21-16)10-17(23)20-14(5)15-7-6-12(3)13(4)9-15/h6-7,9,11,14,16H,8,10H2,1-5H3,(H,20,23)(H,21,25)
InChIKeyBCDMLIVBDNUBPO-UHFFFAOYSA-N
XLogP2.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 112774928
2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 2704316
N-[(1S)-1-(2-methylphenyl)ethyl]-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41037603
N-[1-(2-methylphenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17400640
2-[(4R)-4-(2-methylsulfonylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 51563263
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7596132
2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 30551491
N-(3-ethylphenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18077063
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 51865412
2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2704225
2-(azocan-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 8583647
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 42988079

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 24605906) is N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1ccc(C(C)NC(=O)CN2C(=O)NC(CC(C)C)C2=O)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is BCDMLIVBDNUBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-11(2)8-16-18(24)22(19(25)21-16)10-17(23)20-14(5)15-7-6-12(3)13(4)9-15/h6-7,9,11,14,16H,8,10H2,1-5H3,(H,20,23)(H,21,25).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 24605906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).