4-(azepan-1-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]butanamide

C16H29N3O3 — CID 131949422

IUPAC4-(azepan-1-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]butanamide
SMILESCN1CC(CNC(=O)CCCN2CCCCCC2)OCC1=O
InChIInChI=1S/C16H29N3O3/c1-18-12-14(22-13-16(18)21)11-17-15(20)7-6-10-19-8-4-2-3-5-9-19/h14H,2-13H2,1H3,(H,17,20)
InChIKeyVEWQLPDJVKHZPZ-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.62
Rot. Bonds6

About 4-(azepan-1-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]butanamide

4-(azepan-1-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]butanamide (PubChem CID 131949422) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]butanamide
PubChem CID131949422
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name4-(azepan-1-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]butanamide
SMILESCN1CC(CNC(=O)CCCN2CCCCCC2)OCC1=O
InChIInChI=1S/C16H29N3O3/c1-18-12-14(22-13-16(18)21)11-17-15(20)7-6-10-19-8-4-2-3-5-9-19/h14H,2-13H2,1H3,(H,17,20)
InChIKeyVEWQLPDJVKHZPZ-UHFFFAOYSA-N
XLogP0.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]butanamide?
The IUPAC name of 4-(azepan-1-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]butanamide (CID 131949422) is 4-(azepan-1-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]butanamide.
What is the SMILES notation for 4-(azepan-1-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]butanamide?
The canonical SMILES for 4-(azepan-1-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]butanamide is CN1CC(CNC(=O)CCCN2CCCCCC2)OCC1=O.
What is the InChIKey of 4-(azepan-1-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]butanamide?
The InChIKey is VEWQLPDJVKHZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-18-12-14(22-13-16(18)21)11-17-15(20)7-6-10-19-8-4-2-3-5-9-19/h14H,2-13H2,1H3,(H,17,20).
What are the key properties of 4-(azepan-1-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]butanamide?
4-(azepan-1-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]butanamide has a molecular weight of 311.43 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]butanamide is sourced from PubChem (CID 131949422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).