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

C13H25N3O2 — CID 54950929

IUPAC2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(C)C(=O)N1CCCCCC1
InChIInChI=1S/C13H25N3O2/c1-10(12(17)14-3)15-11(2)13(18)16-8-6-4-5-7-9-16/h10-11,15H,4-9H2,1-3H3,(H,14,17)
InChIKeyVHQVSOLAWOKHNI-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.50
Rot. Bonds4

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

2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-methylpropanamide (PubChem CID 54950929) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-methylpropanamide
PubChem CID54950929
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(C)C(=O)N1CCCCCC1
InChIInChI=1S/C13H25N3O2/c1-10(12(17)14-3)15-11(2)13(18)16-8-6-4-5-7-9-16/h10-11,15H,4-9H2,1-3H3,(H,14,17)
InChIKeyVHQVSOLAWOKHNI-UHFFFAOYSA-N
XLogP0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propylpropanamide
CID 60677295
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N,N-dimethylpropanamide
CID 61464466
2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43083625
2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one
CID 43401265
2-(1-piperidin-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 54938177
1-(azetidin-1-yl)-2-(methylamino)propan-1-one
CID 130546947
1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one
CID 79248979
(2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 103902059
2-[[(1S)-1-cycloheptylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 81391730
methyl 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-3-methylbutanoate
CID 43386372
2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 110280633
2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 60642296

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-methylpropanamide?
The IUPAC name of 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-methylpropanamide (CID 54950929) is 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-methylpropanamide is CNC(=O)C(C)NC(C)C(=O)N1CCCCCC1.
What is the InChIKey of 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-methylpropanamide?
The InChIKey is VHQVSOLAWOKHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(12(17)14-3)15-11(2)13(18)16-8-6-4-5-7-9-16/h10-11,15H,4-9H2,1-3H3,(H,14,17).
What are the key properties of 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-methylpropanamide?
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-methylpropanamide has a molecular weight of 255.36 g/mol, XLogP of 0.50, 4 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-methylpropanamide is sourced from PubChem (CID 54950929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).