N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N',N'-dipropylpentanediamide

C21H30N4O4 — CID 56546213

IUPACN-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NN1C(=O)NC(C)(c2ccccc2)C1=O
InChIInChI=1S/C21H30N4O4/c1-4-14-24(15-5-2)18(27)13-9-12-17(26)23-25-19(28)21(3,22-20(25)29)16-10-7-6-8-11-16/h6-8,10-11H,4-5,9,12-15H2,1-3H3,(H,22,29)(H,23,26)
InChIKeyGZRLYLJXTXXAHC-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.30
Rot. Bonds10

About N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N',N'-dipropylpentanediamide

N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N',N'-dipropylpentanediamide (PubChem CID 56546213) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N',N'-dipropylpentanediamide
PubChem CID56546213
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC NameN-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NN1C(=O)NC(C)(c2ccccc2)C1=O
InChIInChI=1S/C21H30N4O4/c1-4-14-24(15-5-2)18(27)13-9-12-17(26)23-25-19(28)21(3,22-20(25)29)16-10-7-6-8-11-16/h6-8,10-11H,4-5,9,12-15H2,1-3H3,(H,22,29)(H,23,26)
InChIKeyGZRLYLJXTXXAHC-UHFFFAOYSA-N
XLogP2.30
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid
CID 167859701
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 47099545
4-(2-ethoxyphenoxy)-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]butanamide
CID 8879377
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8694880
[2-(dimethylamino)-2-oxoethyl]-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
CID 8694883
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3,3-diphenylpropanamide
CID 84861647
2-[(4-ethylphenyl)methyl-methylamino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8794419
3-[4-(diethylsulfamoyl)phenyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 55436066
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55343004
methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8913046
4-(ethylsulfanylmethyl)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
CID 55902374
2-(4-fluorophenoxy)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 17439522

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N',N'-dipropylpentanediamide?
The IUPAC name of N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N',N'-dipropylpentanediamide (CID 56546213) is N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N',N'-dipropylpentanediamide?
The canonical SMILES for N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)NN1C(=O)NC(C)(c2ccccc2)C1=O.
What is the InChIKey of N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N',N'-dipropylpentanediamide?
The InChIKey is GZRLYLJXTXXAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-4-14-24(15-5-2)18(27)13-9-12-17(26)23-25-19(28)21(3,22-20(25)29)16-10-7-6-8-11-16/h6-8,10-11H,4-5,9,12-15H2,1-3H3,(H,22,29)(H,23,26).
What are the key properties of N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N',N'-dipropylpentanediamide?
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N',N'-dipropylpentanediamide has a molecular weight of 402.50 g/mol, XLogP of 2.30, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N',N'-dipropylpentanediamide is sourced from PubChem (CID 56546213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).