N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide

C11H15N3O2 — CID 43315800

IUPACN-(2-aminoethyl)-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCN)cc1
InChIInChI=1S/C11H15N3O2/c1-8-2-4-9(5-3-8)14-11(16)10(15)13-7-6-12/h2-5H,6-7,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyAQWSAXUEGIYNBH-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.01
Rot. Bonds3

About N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide

N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide (PubChem CID 43315800) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-(4-methylphenyl)oxamide
PubChem CID43315800
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-(2-aminoethyl)-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCN)cc1
InChIInChI=1S/C11H15N3O2/c1-8-2-4-9(5-3-8)14-11(16)10(15)13-7-6-12/h2-5H,6-7,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyAQWSAXUEGIYNBH-UHFFFAOYSA-N
XLogP0.01
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 43316008
N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide
CID 2247723
N-(6-hydroxyhexyl)-N'-(4-methylphenyl)oxamide
CID 103917957
N-(2-aminoethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 43315998
N'-(3-acetamidophenyl)-N-(2-aminoethyl)oxamide
CID 43316047
N-(2-aminoethyl)-N'-(3,4-dimethoxyphenyl)oxamide
CID 43315993
N-(2-aminoethyl)-3-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 39162031
1-(4-aminobutyl)-3-(4-methylphenyl)urea;hydrochloride
CID 163284843
N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide
CID 124626154
3-amino-N-(4-methylphenyl)propanamide;hydrochloride
CID 15558174
2-aminoethylcarbamic acid;toluene
CID 70566419
2-[2-[3-(dimethylamino)propylcarbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
CID 9214234

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide (CID 43315800) is N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NCCN)cc1.
What is the InChIKey of N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide?
The InChIKey is AQWSAXUEGIYNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-2-4-9(5-3-8)14-11(16)10(15)13-7-6-12/h2-5H,6-7,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide?
N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide has a molecular weight of 221.26 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide is sourced from PubChem (CID 43315800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).