3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylpropanamide;hydrochloride

C13H26ClN3O3 — CID 120789495

IUPAC3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylpropanamide;hydrochloride
SMILESCCCNC(=O)CCNC(=O)C(N)C1CCOCC1.Cl
InChIInChI=1S/C13H25N3O3.ClH/c1-2-6-15-11(17)3-7-16-13(18)12(14)10-4-8-19-9-5-10;/h10,12H,2-9,14H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyRDQOGZVMBJEWJX-UHFFFAOYSA-N
MW307.82 g/mol
LogP0.19
Rot. Bonds7

About 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylpropanamide;hydrochloride

3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylpropanamide;hydrochloride (PubChem CID 120789495) has the molecular formula C13H26ClN3O3 and a molecular weight of 307.82 g/mol. Its IUPAC name is 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylpropanamide;hydrochloride
PubChem CID120789495
Molecular FormulaC13H26ClN3O3
Molecular Weight307.82 g/mol
Exact Mass307.17
IUPAC Name3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylpropanamide;hydrochloride
SMILESCCCNC(=O)CCNC(=O)C(N)C1CCOCC1.Cl
InChIInChI=1S/C13H25N3O3.ClH/c1-2-6-15-11(17)3-7-16-13(18)12(14)10-4-8-19-9-5-10;/h10,12H,2-9,14H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyRDQOGZVMBJEWJX-UHFFFAOYSA-N
XLogP0.19
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylpropanamide;hydrochloride 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

2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
propan-2-yl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]propanoate
CID 120784836
2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(oxan-4-yl)acetamide
CID 120791442
2-amino-N-(2,2-diethylbutyl)-2-(oxan-4-yl)acetamide
CID 120796618
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride
CID 120788869
3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-bromophenyl)propanamide
CID 120788882
2-amino-N-(2-cyclohexylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787635
2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120794307
2-amino-2-(oxan-4-yl)-N-[(1-propylcyclobutyl)methyl]acetamide;hydrochloride
CID 120796583
2-amino-N-(3-methylsulfanylpropyl)-2-(oxan-4-yl)acetamide
CID 120785888
2-amino-N-(2-cyclohexyloxyethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789515
2-[1-(oxan-4-yl)ethylamino]-N-propylacetamide
CID 115707135

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylpropanamide;hydrochloride?
The IUPAC name of 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylpropanamide;hydrochloride (CID 120789495) is 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylpropanamide;hydrochloride.
What is the SMILES notation for 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylpropanamide;hydrochloride?
The canonical SMILES for 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylpropanamide;hydrochloride is CCCNC(=O)CCNC(=O)C(N)C1CCOCC1.Cl.
What is the InChIKey of 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylpropanamide;hydrochloride?
The InChIKey is RDQOGZVMBJEWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3.ClH/c1-2-6-15-11(17)3-7-16-13(18)12(14)10-4-8-19-9-5-10;/h10,12H,2-9,14H2,1H3,(H,15,17)(H,16,18);1H.
What are the key properties of 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylpropanamide;hydrochloride?
3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylpropanamide;hydrochloride has a molecular weight of 307.82 g/mol, XLogP of 0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylpropanamide;hydrochloride is sourced from PubChem (CID 120789495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).