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

C19H27N3O3 — CID 4212204

IUPACN-ethyl-2-[3-(3-methylbutyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCCNC(=O)CC1C(=O)N(c2ccc(C)cc2)C(=O)N1CCC(C)C
InChIInChI=1S/C19H27N3O3/c1-5-20-17(23)12-16-18(24)22(15-8-6-14(4)7-9-15)19(25)21(16)11-10-13(2)3/h6-9,13,16H,5,10-12H2,1-4H3,(H,20,23)
InChIKeyYTAWWRJKMFOBCY-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.70
Rot. Bonds7

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

N-ethyl-2-[3-(3-methylbutyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 4212204) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-ethyl-2-[3-(3-methylbutyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(3-methylbutyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID4212204
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-ethyl-2-[3-(3-methylbutyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCCNC(=O)CC1C(=O)N(c2ccc(C)cc2)C(=O)N1CCC(C)C
InChIInChI=1S/C19H27N3O3/c1-5-20-17(23)12-16-18(24)22(15-8-6-14(4)7-9-15)19(25)21(16)11-10-13(2)3/h6-9,13,16H,5,10-12H2,1-4H3,(H,20,23)
InChIKeyYTAWWRJKMFOBCY-UHFFFAOYSA-N
XLogP2.70
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one
CID 70556
N-((Acetylamino)(4-(dimethylamino)phenyl)methyl)acetamide
CID 853046
1-(1-Propionylpiperidin-4-yl)-3-p-tolylurea
CID 49782799
8-(4-Isopropyl-cyclohexyl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 9885005
8-Cyclododecyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 10000890
8-Cycloundecyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 19347356
1-[1-(3-Methyl-butyryl)-piperidin-4-yl]-3-(4-trifluoromethyl-phenyl)-urea
CID 24899522
(S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-isopentyl-2-oxo-2,3-dihydrobenzo[d]imidazole-1-carboxamide
CID 44576654
1-(1-(2-Methylbutyryl)piperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 56971639
1-[4-(Trifluoromethyl)phenyl]-3-[1-[(S)-2-methylbutyryl]-4-piperidinyl]urea
CID 71680510
3-[(4-Fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 2877115
N-(3-ethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 4916632

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(3-methylbutyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-ethyl-2-[3-(3-methylbutyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide (CID 4212204) is N-ethyl-2-[3-(3-methylbutyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[3-(3-methylbutyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-ethyl-2-[3-(3-methylbutyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide is CCNC(=O)CC1C(=O)N(c2ccc(C)cc2)C(=O)N1CCC(C)C.
What is the InChIKey of N-ethyl-2-[3-(3-methylbutyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is YTAWWRJKMFOBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-5-20-17(23)12-16-18(24)22(15-8-6-14(4)7-9-15)19(25)21(16)11-10-13(2)3/h6-9,13,16H,5,10-12H2,1-4H3,(H,20,23).
What are the key properties of N-ethyl-2-[3-(3-methylbutyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
N-ethyl-2-[3-(3-methylbutyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(3-methylbutyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 4212204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).