N-(2-aminoethyl)-N'-benzyl-N'-propan-2-yloxamide

C14H21N3O2 — CID 43316028

IUPACN-(2-aminoethyl)-N'-benzyl-N'-propan-2-yloxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C(=O)NCCN
InChIInChI=1S/C14H21N3O2/c1-11(2)17(10-12-6-4-3-5-7-12)14(19)13(18)16-9-8-15/h3-7,11H,8-10,15H2,1-2H3,(H,16,18)
InChIKeyVFMAWLHDQIFDBD-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.50
Rot. Bonds5

About N-(2-aminoethyl)-N'-benzyl-N'-propan-2-yloxamide

N-(2-aminoethyl)-N'-benzyl-N'-propan-2-yloxamide (PubChem CID 43316028) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-benzyl-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-benzyl-N'-propan-2-yloxamide
PubChem CID43316028
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(2-aminoethyl)-N'-benzyl-N'-propan-2-yloxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C(=O)NCCN
InChIInChI=1S/C14H21N3O2/c1-11(2)17(10-12-6-4-3-5-7-12)14(19)13(18)16-9-8-15/h3-7,11H,8-10,15H2,1-2H3,(H,16,18)
InChIKeyVFMAWLHDQIFDBD-UHFFFAOYSA-N
XLogP0.50
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-(3-formamidopropyl)-N'-propan-2-yloxamide
CID 108503523
N-(2-aminoethyl)-N'-benzyl-N'-propyloxamide
CID 43587245
N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide
CID 108503369
N'-benzyl-N-(2-piperazin-1-ylethyl)-N'-propan-2-yloxamide
CID 108503431
N'-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-propan-2-yloxamide
CID 108503366
5-amino-N-benzyl-2-methyl-N-propan-2-ylpentanamide
CID 104683482
N'-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N'-propan-2-yloxamide
CID 108985863
N-benzyl-N-propan-2-ylacetamide
CID 23534449
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429
N-benzyl-2-methyl-N-propan-2-ylbenzamide
CID 562391
4-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid
CID 80537936
N-benzyl-2-methoxy-N-propan-2-ylpropanamide
CID 115588172

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-benzyl-N'-propan-2-yloxamide?
The IUPAC name of N-(2-aminoethyl)-N'-benzyl-N'-propan-2-yloxamide (CID 43316028) is N-(2-aminoethyl)-N'-benzyl-N'-propan-2-yloxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-benzyl-N'-propan-2-yloxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-benzyl-N'-propan-2-yloxamide is CC(C)N(Cc1ccccc1)C(=O)C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-N'-benzyl-N'-propan-2-yloxamide?
The InChIKey is VFMAWLHDQIFDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11(2)17(10-12-6-4-3-5-7-12)14(19)13(18)16-9-8-15/h3-7,11H,8-10,15H2,1-2H3,(H,16,18).
What are the key properties of N-(2-aminoethyl)-N'-benzyl-N'-propan-2-yloxamide?
N-(2-aminoethyl)-N'-benzyl-N'-propan-2-yloxamide has a molecular weight of 263.34 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-benzyl-N'-propan-2-yloxamide is sourced from PubChem (CID 43316028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).