3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenylpentanamide

C22H25N3O3 — CID 55812075

IUPAC3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenylpentanamide
SMILESCCC(C)C(C(=O)Nc1cccc(C2(C)NC(=O)NC2=O)c1)c1ccccc1
InChIInChI=1S/C22H25N3O3/c1-4-14(2)18(15-9-6-5-7-10-15)19(26)23-17-12-8-11-16(13-17)22(3)20(27)24-21(28)25-22/h5-14,18H,4H2,1-3H3,(H,23,26)(H2,24,25,27,28)
InChIKeyKVAJNCQVVDFYKS-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.51
Rot. Bonds6

About 3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenylpentanamide

3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenylpentanamide (PubChem CID 55812075) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenylpentanamide.

Molecular Properties

Compound Name3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenylpentanamide
PubChem CID55812075
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenylpentanamide
SMILESCCC(C)C(C(=O)Nc1cccc(C2(C)NC(=O)NC2=O)c1)c1ccccc1
InChIInChI=1S/C22H25N3O3/c1-4-14(2)18(15-9-6-5-7-10-15)19(26)23-17-12-8-11-16(13-17)22(3)20(27)24-21(28)25-22/h5-14,18H,4H2,1-3H3,(H,23,26)(H2,24,25,27,28)
InChIKeyKVAJNCQVVDFYKS-UHFFFAOYSA-N
XLogP3.51
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide
CID 119292140
2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481
(2S,3S)-3-methyl-2-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid
CID 120517428
N-[3-[(dimethylamino)methyl]phenyl]-3-methyl-2-phenylpentanamide
CID 78862850
7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide
CID 119728470
5-bromo-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carboxamide
CID 51949297
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-nitrobenzamide
CID 51951646
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
CID 129368217
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 52613811
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 52502832
(2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide
CID 95310454
3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpentanamide
CID 55765150

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenylpentanamide?
The IUPAC name of 3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenylpentanamide (CID 55812075) is 3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenylpentanamide.
What is the SMILES notation for 3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenylpentanamide?
The canonical SMILES for 3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenylpentanamide is CCC(C)C(C(=O)Nc1cccc(C2(C)NC(=O)NC2=O)c1)c1ccccc1.
What is the InChIKey of 3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenylpentanamide?
The InChIKey is KVAJNCQVVDFYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-4-14(2)18(15-9-6-5-7-10-15)19(26)23-17-12-8-11-16(13-17)22(3)20(27)24-21(28)25-22/h5-14,18H,4H2,1-3H3,(H,23,26)(H2,24,25,27,28).
What are the key properties of 3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenylpentanamide?
3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenylpentanamide has a molecular weight of 379.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenylpentanamide is sourced from PubChem (CID 55812075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).