4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]butanamide

C22H25N5O4 — CID 55762912

IUPAC4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]butanamide
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)CCCN1C(=O)CN(C)C1=O
InChIInChI=1S/C22H25N5O4/c1-15-10-11-17(24-21(30)23-16-7-4-3-5-8-16)13-18(15)25-19(28)9-6-12-27-20(29)14-26(2)22(27)31/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,25,28)(H2,23,24,30)
InChIKeyBMNRCPXXNJOOQS-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.25
Rot. Bonds7

About 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]butanamide

4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]butanamide (PubChem CID 55762912) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]butanamide.

Molecular Properties

Compound Name4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]butanamide
PubChem CID55762912
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]butanamide
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)CCCN1C(=O)CN(C)C1=O
InChIInChI=1S/C22H25N5O4/c1-15-10-11-17(24-21(30)23-16-7-4-3-5-8-16)13-18(15)25-19(28)9-6-12-27-20(29)14-26(2)22(27)31/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,25,28)(H2,23,24,30)
InChIKeyBMNRCPXXNJOOQS-UHFFFAOYSA-N
XLogP3.25
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18160401
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)butanamide
CID 9072319
N-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 8777093
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 55383406
methyl 2-[3-[2-methyl-5-(phenylcarbamoylamino)anilino]-3-oxopropyl]sulfanylacetate
CID 56568185
2-(cyclopropylmethylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119725688
N-(4-butylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 78808991
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-pyrazol-1-ylphenyl)butanamide
CID 78864304
N-(2-aminoethyl)-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]benzamide;hydrochloride
CID 120603741
N-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110604119
N-[4-[ethyl(propan-2-yl)amino]phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 78807951
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide
CID 17420767

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]butanamide?
The IUPAC name of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]butanamide (CID 55762912) is 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]butanamide.
What is the SMILES notation for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]butanamide?
The canonical SMILES for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]butanamide is Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)CCCN1C(=O)CN(C)C1=O.
What is the InChIKey of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]butanamide?
The InChIKey is BMNRCPXXNJOOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-15-10-11-17(24-21(30)23-16-7-4-3-5-8-16)13-18(15)25-19(28)9-6-12-27-20(29)14-26(2)22(27)31/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,25,28)(H2,23,24,30).
What are the key properties of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]butanamide?
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]butanamide has a molecular weight of 423.47 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]butanamide is sourced from PubChem (CID 55762912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).