2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propylpropanamide

C15H29N3O2 — CID 60677295

IUPAC2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(C)C(=O)N1CCCCCC1
InChIInChI=1S/C15H29N3O2/c1-4-9-16-14(19)12(2)17-13(3)15(20)18-10-7-5-6-8-11-18/h12-13,17H,4-11H2,1-3H3,(H,16,19)
InChIKeyKMASTVYGWJPPQA-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.28
Rot. Bonds6

About 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propylpropanamide

2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propylpropanamide (PubChem CID 60677295) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propylpropanamide
PubChem CID60677295
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(C)C(=O)N1CCCCCC1
InChIInChI=1S/C15H29N3O2/c1-4-9-16-14(19)12(2)17-13(3)15(20)18-10-7-5-6-8-11-18/h12-13,17H,4-11H2,1-3H3,(H,16,19)
InChIKeyKMASTVYGWJPPQA-UHFFFAOYSA-N
XLogP1.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propylpropanamide 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-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-methylpropanamide
CID 54950929
2-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-propylpropanamide
CID 60695646
(2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 103902059
2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43083625
2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 110280633
2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083652
1-(azepan-1-yl)-2-(butylamino)propan-1-one
CID 43086925
2-ethyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]butanamide
CID 95747727
2-(1-piperidin-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 54938177
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N,N-dimethylpropanamide
CID 61464466
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide
CID 113408453
(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propylpropanamide (CID 60677295) is 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propylpropanamide is CCCNC(=O)C(C)NC(C)C(=O)N1CCCCCC1.
What is the InChIKey of 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propylpropanamide?
The InChIKey is KMASTVYGWJPPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-9-16-14(19)12(2)17-13(3)15(20)18-10-7-5-6-8-11-18/h12-13,17H,4-11H2,1-3H3,(H,16,19).
What are the key properties of 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propylpropanamide?
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propylpropanamide has a molecular weight of 283.42 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propylpropanamide is sourced from PubChem (CID 60677295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).