N-[5-(azepan-1-yl)pentyl]acetamide

C13H26N2O — CID 110441166

IUPACN-[5-(azepan-1-yl)pentyl]acetamide
SMILESCC(=O)NCCCCCN1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-13(16)14-9-5-4-8-12-15-10-6-2-3-7-11-15/h2-12H2,1H3,(H,14,16)
InChIKeySJALVPVBVGCFFM-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.17
Rot. Bonds6

About N-[5-(azepan-1-yl)pentyl]acetamide

N-[5-(azepan-1-yl)pentyl]acetamide (PubChem CID 110441166) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[5-(azepan-1-yl)pentyl]acetamide.

Molecular Properties

Compound NameN-[5-(azepan-1-yl)pentyl]acetamide
PubChem CID110441166
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[5-(azepan-1-yl)pentyl]acetamide
SMILESCC(=O)NCCCCCN1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-13(16)14-9-5-4-8-12-15-10-6-2-3-7-11-15/h2-12H2,1H3,(H,14,16)
InChIKeySJALVPVBVGCFFM-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-pyrrolidin-1-ylbutylcarbamoylamino)ethyl]acetamide
CID 47239682
N-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide
CID 20736239
N-[4-(4-methylpiperazin-1-yl)butyl]acetamide
CID 110459248
N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide
CID 110441883
N-[4-(4-ethylpiperazin-1-yl)butyl]acetamide
CID 110441162
1-pentyl-3-(6-piperidin-1-ylhexyl)urea
CID 58599050
methyl N-(4-piperidin-1-ylbutyl)carbamate
CID 97356284
2-oxo-N-(3-piperidin-1-ylpropyl)propanamide
CID 121311935
1-octadecyl-3-(3-piperidin-1-ylpropyl)urea
CID 139652296
3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate
CID 156847315
2-methoxy-N-(4-piperidin-1-ylbutyl)acetamide
CID 110443559
1-(2-piperidin-1-ylethyl)-3-tetradecylurea
CID 139652340

Frequently Asked Questions

What is the IUPAC name of N-[5-(azepan-1-yl)pentyl]acetamide?
The IUPAC name of N-[5-(azepan-1-yl)pentyl]acetamide (CID 110441166) is N-[5-(azepan-1-yl)pentyl]acetamide.
What is the SMILES notation for N-[5-(azepan-1-yl)pentyl]acetamide?
The canonical SMILES for N-[5-(azepan-1-yl)pentyl]acetamide is CC(=O)NCCCCCN1CCCCCC1.
What is the InChIKey of N-[5-(azepan-1-yl)pentyl]acetamide?
The InChIKey is SJALVPVBVGCFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(16)14-9-5-4-8-12-15-10-6-2-3-7-11-15/h2-12H2,1H3,(H,14,16).
What are the key properties of N-[5-(azepan-1-yl)pentyl]acetamide?
N-[5-(azepan-1-yl)pentyl]acetamide has a molecular weight of 226.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azepan-1-yl)pentyl]acetamide is sourced from PubChem (CID 110441166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).