N-(4-amino-2-methylphenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide

C14H20N4O2 — CID 62491301

IUPACN-(4-amino-2-methylphenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
SMILESCc1cc(N)ccc1NC(=O)CCN1CCN(C)C1=O
InChIInChI=1S/C14H20N4O2/c1-10-9-11(15)3-4-12(10)16-13(19)5-6-18-8-7-17(2)14(18)20/h3-4,9H,5-8,15H2,1-2H3,(H,16,19)
InChIKeyZTXZUNPKWNBCEL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.27
Rot. Bonds4

About N-(4-amino-2-methylphenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide

N-(4-amino-2-methylphenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide (PubChem CID 62491301) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
PubChem CID62491301
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(4-amino-2-methylphenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
SMILESCc1cc(N)ccc1NC(=O)CCN1CCN(C)C1=O
InChIInChI=1S/C14H20N4O2/c1-10-9-11(15)3-4-12(10)16-13(19)5-6-18-8-7-17(2)14(18)20/h3-4,9H,5-8,15H2,1-2H3,(H,16,19)
InChIKeyZTXZUNPKWNBCEL-UHFFFAOYSA-N
XLogP1.27
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-chlorophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
CID 62490811
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CID 63103700
N-(4-amino-2-methylphenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 16783001
N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 16794289
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CID 62490976
N-(4-amino-2-methylphenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide
CID 62921618
N-(4-amino-2-methylphenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63623312
N-(4-amino-2-methylphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 115964918
N-(5-amino-2-methylphenyl)-3-(4-methyl-3-oxopiperazin-1-yl)propanamide
CID 64681109
N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-(4-amino-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide
CID 28995316
N-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide
CID 43270832

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide (CID 62491301) is N-(4-amino-2-methylphenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide is Cc1cc(N)ccc1NC(=O)CCN1CCN(C)C1=O.
What is the InChIKey of N-(4-amino-2-methylphenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide?
The InChIKey is ZTXZUNPKWNBCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10-9-11(15)3-4-12(10)16-13(19)5-6-18-8-7-17(2)14(18)20/h3-4,9H,5-8,15H2,1-2H3,(H,16,19).
What are the key properties of N-(4-amino-2-methylphenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide?
N-(4-amino-2-methylphenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide has a molecular weight of 276.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide is sourced from PubChem (CID 62491301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).