N-(3-amino-2-methylphenyl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide

C14H18N4O3 — CID 16796113

IUPACN-(3-amino-2-methylphenyl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCc1c(N)cccc1NC(=O)CCCN1C(=O)CNC1=O
InChIInChI=1S/C14H18N4O3/c1-9-10(15)4-2-5-11(9)17-12(19)6-3-7-18-13(20)8-16-14(18)21/h2,4-5H,3,6-8,15H2,1H3,(H,16,21)(H,17,19)
InChIKeyWLUJQTJOIUKODJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.85
Rot. Bonds5

About N-(3-amino-2-methylphenyl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide

N-(3-amino-2-methylphenyl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide (PubChem CID 16796113) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide
PubChem CID16796113
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-(3-amino-2-methylphenyl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCc1c(N)cccc1NC(=O)CCCN1C(=O)CNC1=O
InChIInChI=1S/C14H18N4O3/c1-9-10(15)4-2-5-11(9)17-12(19)6-3-7-18-13(20)8-16-14(18)21/h2,4-5H,3,6-8,15H2,1H3,(H,16,21)(H,17,19)
InChIKeyWLUJQTJOIUKODJ-UHFFFAOYSA-N
XLogP0.85
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dioxoimidazolidin-1-yl)-N-(2-pyrazol-1-ylphenyl)butanamide
CID 87036718
N-(2-aminophenyl)-6-(2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl)hexanamide;ethane;2-methylpropane
CID 143414736
3-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 62948565
N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide
CID 16792974
N-(2,6-dimethylphenyl)-4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]butanamide
CID 46575207
N-(3-amino-2-methylphenyl)-4-phenylbutanamide
CID 28939602
N-(3-amino-2-methylphenyl)-4-propoxybutanamide
CID 43247848
N-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 62206392
N-(3-amino-2-methylphenyl)-4-tert-butylsulfinylbutanamide
CID 61304602
N-(3-amino-2-methylphenyl)-4-propan-2-ylsulfinylbutanamide
CID 61286429
(2,3-dimethylphenyl) 4-(2,5-dioxoimidazolidin-1-yl)butanoate
CID 87011719
N-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide
CID 16791407

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide (CID 16796113) is N-(3-amino-2-methylphenyl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide is Cc1c(N)cccc1NC(=O)CCCN1C(=O)CNC1=O.
What is the InChIKey of N-(3-amino-2-methylphenyl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide?
The InChIKey is WLUJQTJOIUKODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9-10(15)4-2-5-11(9)17-12(19)6-3-7-18-13(20)8-16-14(18)21/h2,4-5H,3,6-8,15H2,1H3,(H,16,21)(H,17,19).
What are the key properties of N-(3-amino-2-methylphenyl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide?
N-(3-amino-2-methylphenyl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide has a molecular weight of 290.32 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide is sourced from PubChem (CID 16796113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).