N-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide

C7H15N3O3 — CID 112674083

IUPACN-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NOCC(N)=O
InChIInChI=1S/C7H15N3O3/c1-2-9-4-3-7(12)10-13-5-6(8)11/h9H,2-5H2,1H3,(H2,8,11)(H,10,12)
InChIKeyXKNKUKVNHVUWTF-UHFFFAOYSA-N
MW189.21 g/mol
LogP-1.48
Rot. Bonds7

About N-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide

N-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide (PubChem CID 112674083) has the molecular formula C7H15N3O3 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide
PubChem CID112674083
Molecular FormulaC7H15N3O3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC NameN-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NOCC(N)=O
InChIInChI=1S/C7H15N3O3/c1-2-9-4-3-7(12)10-13-5-6(8)11/h9H,2-5H2,1H3,(H2,8,11)(H,10,12)
InChIKeyXKNKUKVNHVUWTF-UHFFFAOYSA-N
XLogP-1.48
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-oxoethoxy)butanamide
CID 112550491
N-(2-amino-2-oxoethoxy)pentanamide
CID 112550822
ethane;3-(ethylamino)propanamide
CID 156743022
N-(2-amino-2-oxoethoxy)-3-methylsulfanylpropanamide
CID 112551095
2-[(2-chloroacetyl)amino]oxyacetamide
CID 112673327
2-[(2-ethoxyacetyl)amino]oxyacetamide
CID 112550612
4-amino-N-(2-amino-2-oxoethoxy)butanamide
CID 112674157
3-[3-(ethylamino)propanoylamino]-3-methylbutanamide
CID 106096656
7-amino-N-(2-amino-2-oxoethoxy)heptanamide
CID 112674126
2-[(2-bromoacetyl)amino]oxyacetamide
CID 112673326
4-(2-aminoethyl)-N-(2-amino-2-oxoethoxy)heptanamide
CID 112674089
N-(2-amino-2-oxoethoxy)-3,3-dimethylbutanamide
CID 112550922

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide (CID 112674083) is N-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide is CCNCCC(=O)NOCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide?
The InChIKey is XKNKUKVNHVUWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-2-9-4-3-7(12)10-13-5-6(8)11/h9H,2-5H2,1H3,(H2,8,11)(H,10,12).
What are the key properties of N-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide?
N-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide has a molecular weight of 189.21 g/mol, XLogP of -1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide is sourced from PubChem (CID 112674083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).