N-[3-(N-methylanilino)propyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

C22H26N4O3 — CID 47094160

IUPACN-[3-(N-methylanilino)propyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCN(CCCNC(=O)CN1C(=O)NC(C)(c2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C22H26N4O3/c1-22(17-10-5-3-6-11-17)20(28)26(21(29)24-22)16-19(27)23-14-9-15-25(2)18-12-7-4-8-13-18/h3-8,10-13H,9,14-16H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyNRRGRYJDILHAJN-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.10
Rot. Bonds8

About N-[3-(N-methylanilino)propyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

N-[3-(N-methylanilino)propyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 47094160) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
PubChem CID47094160
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[3-(N-methylanilino)propyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCN(CCCNC(=O)CN1C(=O)NC(C)(c2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C22H26N4O3/c1-22(17-10-5-3-6-11-17)20(28)26(21(29)24-22)16-19(27)23-14-9-15-25(2)18-12-7-4-8-13-18/h3-8,10-13H,9,14-16H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyNRRGRYJDILHAJN-UHFFFAOYSA-N
XLogP2.10
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[3-(N-methylanilino)propyl]acetamide
CID 51926387
N-[[4-(dimethylamino)phenyl]methyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 97090099
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-ynylacetamide
CID 42891284
N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 2580426
2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40748614
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40747967
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2579989
N-benzyl-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40873139
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18099224
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 42964323
N'-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]benzohydrazide
CID 26865674

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 47094160) is N-[3-(N-methylanilino)propyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is CN(CCCNC(=O)CN1C(=O)NC(C)(c2ccccc2)C1=O)c1ccccc1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The InChIKey is NRRGRYJDILHAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-22(17-10-5-3-6-11-17)20(28)26(21(29)24-22)16-19(27)23-14-9-15-25(2)18-12-7-4-8-13-18/h3-8,10-13H,9,14-16H2,1-2H3,(H,23,27)(H,24,29).
What are the key properties of N-[3-(N-methylanilino)propyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
N-[3-(N-methylanilino)propyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 394.48 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 47094160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).