N-(2-aminoethyl)-N'-(1-phenylpropyl)oxamide

C13H19N3O2 — CID 62304180

IUPACN-(2-aminoethyl)-N'-(1-phenylpropyl)oxamide
SMILESCCC(NC(=O)C(=O)NCCN)c1ccccc1
InChIInChI=1S/C13H19N3O2/c1-2-11(10-6-4-3-5-7-10)16-13(18)12(17)15-9-8-14/h3-7,11H,2,8-9,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyYMNNKLVPEZTUJO-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.33
Rot. Bonds5

About N-(2-aminoethyl)-N'-(1-phenylpropyl)oxamide

N-(2-aminoethyl)-N'-(1-phenylpropyl)oxamide (PubChem CID 62304180) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-(1-phenylpropyl)oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-(1-phenylpropyl)oxamide
PubChem CID62304180
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(2-aminoethyl)-N'-(1-phenylpropyl)oxamide
SMILESCCC(NC(=O)C(=O)NCCN)c1ccccc1
InChIInChI=1S/C13H19N3O2/c1-2-11(10-6-4-3-5-7-10)16-13(18)12(17)15-9-8-14/h3-7,11H,2,8-9,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyYMNNKLVPEZTUJO-UHFFFAOYSA-N
XLogP0.33
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.33
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'-[(1R)-2-methyl-1-phenylpropyl]-N-[(1R)-1-phenylpropyl]oxamide
CID 124846210
4-amino-N-(1-phenylpropyl)butanamide
CID 62305395
3-amino-2-phenyl-N-(1-phenylpropyl)propanamide
CID 62878381
1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea
CID 173326019
2-(aminomethyl)-N-(1-phenylpropyl)-2-propylpentanamide
CID 62305900
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
3-(2-aminoethylamino)-3-phenylpropanoic acid
CID 145335697
N-(2-aminoethyl)-N'-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxamide
CID 107861945
2-bromo-N-[(1R)-1-phenylpropyl]propanamide
CID 165438304
2-amino-3-methyl-N-(1-phenylpropyl)pentanamide
CID 62305056
N-(2-aminoethyl)-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 119384601
2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropyl)pentanamide
CID 107472030

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-(1-phenylpropyl)oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-(1-phenylpropyl)oxamide (CID 62304180) is N-(2-aminoethyl)-N'-(1-phenylpropyl)oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-(1-phenylpropyl)oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-(1-phenylpropyl)oxamide is CCC(NC(=O)C(=O)NCCN)c1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-N'-(1-phenylpropyl)oxamide?
The InChIKey is YMNNKLVPEZTUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-11(10-6-4-3-5-7-10)16-13(18)12(17)15-9-8-14/h3-7,11H,2,8-9,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-aminoethyl)-N'-(1-phenylpropyl)oxamide?
N-(2-aminoethyl)-N'-(1-phenylpropyl)oxamide has a molecular weight of 249.31 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-(1-phenylpropyl)oxamide is sourced from PubChem (CID 62304180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).