N-(2-aminoethyl)-N'-(4-methoxy-2,2-dimethylbutyl)oxamide

C11H23N3O3 — CID 114124548

IUPACN-(2-aminoethyl)-N'-(4-methoxy-2,2-dimethylbutyl)oxamide
SMILESCOCCC(C)(C)CNC(=O)C(=O)NCCN
InChIInChI=1S/C11H23N3O3/c1-11(2,4-7-17-3)8-14-10(16)9(15)13-6-5-12/h4-8,12H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyKFDMVLXGOSPDQQ-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.76
Rot. Bonds7

About N-(2-aminoethyl)-N'-(4-methoxy-2,2-dimethylbutyl)oxamide

N-(2-aminoethyl)-N'-(4-methoxy-2,2-dimethylbutyl)oxamide (PubChem CID 114124548) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-(4-methoxy-2,2-dimethylbutyl)oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-(4-methoxy-2,2-dimethylbutyl)oxamide
PubChem CID114124548
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC NameN-(2-aminoethyl)-N'-(4-methoxy-2,2-dimethylbutyl)oxamide
SMILESCOCCC(C)(C)CNC(=O)C(=O)NCCN
InChIInChI=1S/C11H23N3O3/c1-11(2,4-7-17-3)8-14-10(16)9(15)13-6-5-12/h4-8,12H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyKFDMVLXGOSPDQQ-UHFFFAOYSA-N
XLogP-0.76
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N'-(2,2-dimethylbutyl)oxamide
CID 103460009
2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoacetic acid
CID 104768994
N-(4-methoxy-2,2-dimethylbutyl)acetamide
CID 104625400
methyl N-(4-amino-2,2-dimethylbutyl)carbamate
CID 106141188
N-(2-aminoethyl)-N'-(4-methoxybutan-2-yl)oxamide
CID 64601059
N-(5-amino-2,2-dimethylpentyl)-4-methoxy-3-methylbutanamide
CID 106140831
N-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide
CID 115365695
N-(4-methoxy-2,2-dimethylbutyl)-2-propan-2-yloxyacetamide
CID 104625347
N-(4-amino-2,2-dimethylbutyl)pentanamide
CID 106139700
methyl 5-methoxy-3,3-dimethylpentanoate
CID 153309889
N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybutanamide
CID 103899565
N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide
CID 122141755

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-(4-methoxy-2,2-dimethylbutyl)oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-(4-methoxy-2,2-dimethylbutyl)oxamide (CID 114124548) is N-(2-aminoethyl)-N'-(4-methoxy-2,2-dimethylbutyl)oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-(4-methoxy-2,2-dimethylbutyl)oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-(4-methoxy-2,2-dimethylbutyl)oxamide is COCCC(C)(C)CNC(=O)C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-N'-(4-methoxy-2,2-dimethylbutyl)oxamide?
The InChIKey is KFDMVLXGOSPDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-11(2,4-7-17-3)8-14-10(16)9(15)13-6-5-12/h4-8,12H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of N-(2-aminoethyl)-N'-(4-methoxy-2,2-dimethylbutyl)oxamide?
N-(2-aminoethyl)-N'-(4-methoxy-2,2-dimethylbutyl)oxamide has a molecular weight of 245.32 g/mol, XLogP of -0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-(4-methoxy-2,2-dimethylbutyl)oxamide is sourced from PubChem (CID 114124548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).