4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylphenyl)methyl]butanamide

C16H21N3O3 — CID 134003556

IUPAC4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylphenyl)methyl]butanamide
SMILESCc1cccc(CNC(=O)CCCN2C(=O)CN(C)C2=O)c1
InChIInChI=1S/C16H21N3O3/c1-12-5-3-6-13(9-12)10-17-14(20)7-4-8-19-15(21)11-18(2)16(19)22/h3,5-6,9H,4,7-8,10-11H2,1-2H3,(H,17,20)
InChIKeyCGZVCJQQLXURNV-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.29
Rot. Bonds6

About 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylphenyl)methyl]butanamide

4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylphenyl)methyl]butanamide (PubChem CID 134003556) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylphenyl)methyl]butanamide
PubChem CID134003556
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylphenyl)methyl]butanamide
SMILESCc1cccc(CNC(=O)CCCN2C(=O)CN(C)C2=O)c1
InChIInChI=1S/C16H21N3O3/c1-12-5-3-6-13(9-12)10-17-14(20)7-4-8-19-15(21)11-18(2)16(19)22/h3,5-6,9H,4,7-8,10-11H2,1-2H3,(H,17,20)
InChIKeyCGZVCJQQLXURNV-UHFFFAOYSA-N
XLogP1.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.29
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

N-[2-(3-chlorophenyl)ethyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18162365
3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 47095418
N-[[2-(difluoromethoxy)phenyl]methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18165058
4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149
N-(3,4-dimethylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18160401
N-[(3-methylphenyl)methyl]-4-oxo-4-phenylbutanamide
CID 33278184
3-methoxy-N-[(3-methylphenyl)methyl]propanamide
CID 71248457
N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 33281524
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)butanamide
CID 9072319
N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016697
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylphenyl)methyl]butanamide?
The IUPAC name of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylphenyl)methyl]butanamide (CID 134003556) is 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylphenyl)methyl]butanamide.
What is the SMILES notation for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylphenyl)methyl]butanamide?
The canonical SMILES for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylphenyl)methyl]butanamide is Cc1cccc(CNC(=O)CCCN2C(=O)CN(C)C2=O)c1.
What is the InChIKey of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylphenyl)methyl]butanamide?
The InChIKey is CGZVCJQQLXURNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-12-5-3-6-13(9-12)10-17-14(20)7-4-8-19-15(21)11-18(2)16(19)22/h3,5-6,9H,4,7-8,10-11H2,1-2H3,(H,17,20).
What are the key properties of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylphenyl)methyl]butanamide?
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylphenyl)methyl]butanamide has a molecular weight of 303.36 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylphenyl)methyl]butanamide is sourced from PubChem (CID 134003556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).