N-[1-(propan-2-ylamino)ethyl]acetamide

C7H16N2O — CID 19817689

IUPACN-[1-(propan-2-ylamino)ethyl]acetamide
SMILESCC(=O)NC(C)NC(C)C
InChIInChI=1S/C7H16N2O/c1-5(2)8-6(3)9-7(4)10/h5-6,8H,1-4H3,(H,9,10)
InChIKeyGUMOEHVLOOHWIH-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.47
Rot. Bonds3

About N-[1-(propan-2-ylamino)ethyl]acetamide

N-[1-(propan-2-ylamino)ethyl]acetamide (PubChem CID 19817689) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-[1-(propan-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(propan-2-ylamino)ethyl]acetamide
PubChem CID19817689
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-[1-(propan-2-ylamino)ethyl]acetamide
SMILESCC(=O)NC(C)NC(C)C
InChIInChI=1S/C7H16N2O/c1-5(2)8-6(3)9-7(4)10/h5-6,8H,1-4H3,(H,9,10)
InChIKeyGUMOEHVLOOHWIH-UHFFFAOYSA-N
XLogP0.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[1-(propan-2-ylamino)ethyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(propan-2-ylamino)ethyl]acetamide?
The IUPAC name of N-[1-(propan-2-ylamino)ethyl]acetamide (CID 19817689) is N-[1-(propan-2-ylamino)ethyl]acetamide.
What is the SMILES notation for N-[1-(propan-2-ylamino)ethyl]acetamide?
The canonical SMILES for N-[1-(propan-2-ylamino)ethyl]acetamide is CC(=O)NC(C)NC(C)C.
What is the InChIKey of N-[1-(propan-2-ylamino)ethyl]acetamide?
The InChIKey is GUMOEHVLOOHWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-5(2)8-6(3)9-7(4)10/h5-6,8H,1-4H3,(H,9,10).
What are the key properties of N-[1-(propan-2-ylamino)ethyl]acetamide?
N-[1-(propan-2-ylamino)ethyl]acetamide has a molecular weight of 144.22 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(propan-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 19817689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).