6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid

C16H19N3O5 — CID 167859701

IUPAC6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid
SMILESCC1(c2ccccc2)NC(=O)N(NC(=O)CCCCC(=O)O)C1=O
InChIInChI=1S/C16H19N3O5/c1-16(11-7-3-2-4-8-11)14(23)19(15(24)17-16)18-12(20)9-5-6-10-13(21)22/h2-4,7-8H,5-6,9-10H2,1H3,(H,17,24)(H,18,20)(H,21,22)
InChIKeyLVFFFCVEZARQFJ-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.13
Rot. Bonds7

About 6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid

6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid (PubChem CID 167859701) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid
PubChem CID167859701
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid
SMILESCC1(c2ccccc2)NC(=O)N(NC(=O)CCCCC(=O)O)C1=O
InChIInChI=1S/C16H19N3O5/c1-16(11-7-3-2-4-8-11)14(23)19(15(24)17-16)18-12(20)9-5-6-10-13(21)22/h2-4,7-8H,5-6,9-10H2,1H3,(H,17,24)(H,18,20)(H,21,22)
InChIKeyLVFFFCVEZARQFJ-UHFFFAOYSA-N
XLogP1.13
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.13
H-Bond Donors ≤ 53
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

6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid
CID 167773553
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 47099545
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N',N'-dipropylpentanediamide
CID 56546213
4-(2-ethoxyphenoxy)-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]butanamide
CID 8879377
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3,3-diphenylpropanamide
CID 84861647
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8694880
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 55450886
2-(4-fluorophenoxy)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 17439522
2-[(4-ethylphenyl)methyl-methylamino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8794419
[2-(dimethylamino)-2-oxoethyl]-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
CID 8694883
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
2-(2-chlorophenoxy)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55342591

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid?
The IUPAC name of 6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid (CID 167859701) is 6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid is CC1(c2ccccc2)NC(=O)N(NC(=O)CCCCC(=O)O)C1=O.
What is the InChIKey of 6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid?
The InChIKey is LVFFFCVEZARQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-16(11-7-3-2-4-8-11)14(23)19(15(24)17-16)18-12(20)9-5-6-10-13(21)22/h2-4,7-8H,5-6,9-10H2,1H3,(H,17,24)(H,18,20)(H,21,22).
What are the key properties of 6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid?
6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid has a molecular weight of 333.34 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid is sourced from PubChem (CID 167859701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).