N-(2-oxo-4-propylazepan-1-yl)butanamide

C13H24N2O2 — CID 90159150

IUPACN-(2-oxo-4-propylazepan-1-yl)butanamide
SMILESCCCC(=O)NN1CCCC(CCC)CC1=O
InChIInChI=1S/C13H24N2O2/c1-3-6-11-8-5-9-15(13(17)10-11)14-12(16)7-4-2/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyOBMAVWRACDPWPT-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.25
Rot. Bonds5

About N-(2-oxo-4-propylazepan-1-yl)butanamide

N-(2-oxo-4-propylazepan-1-yl)butanamide (PubChem CID 90159150) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(2-oxo-4-propylazepan-1-yl)butanamide.

Molecular Properties

Compound NameN-(2-oxo-4-propylazepan-1-yl)butanamide
PubChem CID90159150
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(2-oxo-4-propylazepan-1-yl)butanamide
SMILESCCCC(=O)NN1CCCC(CCC)CC1=O
InChIInChI=1S/C13H24N2O2/c1-3-6-11-8-5-9-15(13(17)10-11)14-12(16)7-4-2/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyOBMAVWRACDPWPT-UHFFFAOYSA-N
XLogP2.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-oxo-4-propylazepan-1-yl)butanamide
CID 90159149
1-ethenyl-4-propylazepan-2-one
CID 18512687
N-(azepan-1-yl)butanamide
CID 67379865
N-(4-methylpiperazin-1-yl)butanamide
CID 4129194
3-(2-oxo-4-propylpyrrolidin-1-yl)propanehydrazide
CID 104512815
4-butyl-1-hydroxyazonan-2-one
CID 154939767
N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide
CID 95294159
(5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone
CID 49008152
2-oxo-4-propylpyrrolidine-1-carboxylic acid
CID 22928680
5-[3-[(butanoylamino)methyl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183261
N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95294529
N-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide
CID 71934329

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-4-propylazepan-1-yl)butanamide?
The IUPAC name of N-(2-oxo-4-propylazepan-1-yl)butanamide (CID 90159150) is N-(2-oxo-4-propylazepan-1-yl)butanamide.
What is the SMILES notation for N-(2-oxo-4-propylazepan-1-yl)butanamide?
The canonical SMILES for N-(2-oxo-4-propylazepan-1-yl)butanamide is CCCC(=O)NN1CCCC(CCC)CC1=O.
What is the InChIKey of N-(2-oxo-4-propylazepan-1-yl)butanamide?
The InChIKey is OBMAVWRACDPWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-6-11-8-5-9-15(13(17)10-11)14-12(16)7-4-2/h11H,3-10H2,1-2H3,(H,14,16).
What are the key properties of N-(2-oxo-4-propylazepan-1-yl)butanamide?
N-(2-oxo-4-propylazepan-1-yl)butanamide has a molecular weight of 240.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-4-propylazepan-1-yl)butanamide is sourced from PubChem (CID 90159150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).