4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide

C13H27N3O2 — CID 66428883

IUPAC4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N1CCCOC(C)C1
InChIInChI=1S/C13H27N3O2/c1-3-5-15-13(17)8-12(9-14)16-6-4-7-18-11(2)10-16/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyULSWWPJFONVWSR-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.34
Rot. Bonds6

About 4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide

4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide (PubChem CID 66428883) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide
PubChem CID66428883
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N1CCCOC(C)C1
InChIInChI=1S/C13H27N3O2/c1-3-5-15-13(17)8-12(9-14)16-6-4-7-18-11(2)10-16/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyULSWWPJFONVWSR-UHFFFAOYSA-N
XLogP0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-1-piperidin-1-ylbutan-1-one
CID 66431730
4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide
CID 102965045
4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide
CID 66428450
4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide
CID 66427408
4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide
CID 66427409
4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide
CID 66426330
4-amino-N-propyl-3-(2-propylpiperidin-1-yl)butanamide
CID 83053457
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-propylbutanamide
CID 66428466
4-amino-3-(3-azaspiro[5.5]undecan-3-yl)-N-propylbutanamide
CID 66428881
4-amino-3-(2,4-dimethylpiperazin-1-yl)-N-propylbutanamide
CID 114086546
4-amino-3-(3-methylthiomorpholin-4-yl)-N-propylbutanamide
CID 66427407
methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate
CID 62972695

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide?
The IUPAC name of 4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide (CID 66428883) is 4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide.
What is the SMILES notation for 4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide?
The canonical SMILES for 4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide is CCCNC(=O)CC(CN)N1CCCOC(C)C1.
What is the InChIKey of 4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide?
The InChIKey is ULSWWPJFONVWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-3-5-15-13(17)8-12(9-14)16-6-4-7-18-11(2)10-16/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide?
4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide has a molecular weight of 257.38 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide is sourced from PubChem (CID 66428883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).