2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide

C27H29N3O3 — CID 46606420

IUPAC2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)CN1C(=O)NC(C)(c2cccc3ccccc23)C1=O
InChIInChI=1S/C27H29N3O3/c1-4-16-29(17-20-14-12-19(2)13-15-20)24(31)18-30-25(32)27(3,28-26(30)33)23-11-7-9-21-8-5-6-10-22(21)23/h5-15H,4,16-18H2,1-3H3,(H,28,33)
InChIKeyMDRJZMFHMWNBHA-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.35
Rot. Bonds7

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

2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide (PubChem CID 46606420) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide
PubChem CID46606420
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)CN1C(=O)NC(C)(c2cccc3ccccc23)C1=O
InChIInChI=1S/C27H29N3O3/c1-4-16-29(17-20-14-12-19(2)13-15-20)24(31)18-30-25(32)27(3,28-26(30)33)23-11-7-9-21-8-5-6-10-22(21)23/h5-15H,4,16-18H2,1-3H3,(H,28,33)
InChIKeyMDRJZMFHMWNBHA-UHFFFAOYSA-N
XLogP4.35
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.35
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

2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 55442216
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 9401594
N-benzyl-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 2513176
2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 2704464
N-benzyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 46533735
(5S)-5-methyl-5-naphthalen-1-yl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione
CID 7179916
5-methyl-3-(2-methylprop-2-enyl)-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 17405528
N-benzyl-N-(1-cyclopropylethyl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 55399926
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 43028361
3-ethyl-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 42915150
N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(naphthalen-2-ylmethyl)acetamide
CID 46663971
N-(2,6-dimethylphenyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7242865

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide?
The IUPAC name of 2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide (CID 46606420) is 2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide.
What is the SMILES notation for 2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide?
The canonical SMILES for 2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide is CCCN(Cc1ccc(C)cc1)C(=O)CN1C(=O)NC(C)(c2cccc3ccccc23)C1=O.
What is the InChIKey of 2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide?
The InChIKey is MDRJZMFHMWNBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-4-16-29(17-20-14-12-19(2)13-15-20)24(31)18-30-25(32)27(3,28-26(30)33)23-11-7-9-21-8-5-6-10-22(21)23/h5-15H,4,16-18H2,1-3H3,(H,28,33).
What are the key properties of 2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide?
2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide has a molecular weight of 443.55 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide is sourced from PubChem (CID 46606420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).