N-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide

C13H19N3O2 — CID 43316008

IUPACN-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccc(NC(=O)C(=O)NCCN)cc1
InChIInChI=1S/C13H19N3O2/c1-9(2)10-3-5-11(6-4-10)16-13(18)12(17)15-8-7-14/h3-6,9H,7-8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyCRVBWOAMKDYRMW-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.82
Rot. Bonds4

About N-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide

N-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide (PubChem CID 43316008) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide
PubChem CID43316008
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccc(NC(=O)C(=O)NCCN)cc1
InChIInChI=1S/C13H19N3O2/c1-9(2)10-3-5-11(6-4-10)16-13(18)12(17)15-8-7-14/h3-6,9H,7-8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyCRVBWOAMKDYRMW-UHFFFAOYSA-N
XLogP0.82
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.82
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-methylphenyl)oxamide
CID 43315800
N-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 624152
N-[3-(dipropylamino)propyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 126478016
N-(2-aminoethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 43315998
N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 121132289
N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 121132940
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 2218053
(2R)-2-(2-aminoethylamino)-4-oxo-4-(4-propan-2-ylanilino)butanoic acid
CID 7590951
N-(4-hydroxy-2,2-dimethylpentyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 111490720
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 90524620
2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 62669376
N'-(3-acetamidophenyl)-N-(2-aminoethyl)oxamide
CID 43316047

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide (CID 43316008) is N-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide is CC(C)c1ccc(NC(=O)C(=O)NCCN)cc1.
What is the InChIKey of N-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide?
The InChIKey is CRVBWOAMKDYRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(2)10-3-5-11(6-4-10)16-13(18)12(17)15-8-7-14/h3-6,9H,7-8,14H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide?
N-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide has a molecular weight of 249.31 g/mol, XLogP of 0.82, 4 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-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 43316008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).