N-(azepan-4-yl)-3-propoxypropanamide

C12H24N2O2 — CID 107172337

IUPACN-(azepan-4-yl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NC1CCCNCC1
InChIInChI=1S/C12H24N2O2/c1-2-9-16-10-6-12(15)14-11-4-3-7-13-8-5-11/h11,13H,2-10H2,1H3,(H,14,15)
InChIKeyXVBLPCJLKGWPBI-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.06
Rot. Bonds6

About N-(azepan-4-yl)-3-propoxypropanamide

N-(azepan-4-yl)-3-propoxypropanamide (PubChem CID 107172337) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(azepan-4-yl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-3-propoxypropanamide
PubChem CID107172337
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(azepan-4-yl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NC1CCCNCC1
InChIInChI=1S/C12H24N2O2/c1-2-9-16-10-6-12(15)14-11-4-3-7-13-8-5-11/h11,13H,2-10H2,1H3,(H,14,15)
InChIKeyXVBLPCJLKGWPBI-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(azepan-4-yl)-3-propoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(azepan-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 105061008
N-(azepan-4-yl)dodecanamide
CID 105060891
N-(azepan-4-yl)-4-methylpentanamide
CID 105059595
N-(azepan-4-yl)-2-(2-methoxyethoxy)acetamide
CID 105061038
N-(azepan-4-yl)-3-methylsulfonylpropanamide
CID 107172326
3-(azepan-4-ylamino)-N-cyclopropylpropanamide
CID 103982443
N-piperidin-4-ylhexanamide;hydrochloride
CID 47002713
3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide
CID 103206351
N-piperidin-4-yl-3-propan-2-yloxypropanamide;hydrochloride
CID 119386638
N-(2-piperidin-4-ylethyl)-3-propoxypropanamide
CID 62714933
cis-(1R,3S)-3-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 106321388
N-(azepan-4-yl)-N-methyl-3-propoxypropanamide
CID 107172545

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-3-propoxypropanamide?
The IUPAC name of N-(azepan-4-yl)-3-propoxypropanamide (CID 107172337) is N-(azepan-4-yl)-3-propoxypropanamide.
What is the SMILES notation for N-(azepan-4-yl)-3-propoxypropanamide?
The canonical SMILES for N-(azepan-4-yl)-3-propoxypropanamide is CCCOCCC(=O)NC1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-3-propoxypropanamide?
The InChIKey is XVBLPCJLKGWPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-9-16-10-6-12(15)14-11-4-3-7-13-8-5-11/h11,13H,2-10H2,1H3,(H,14,15).
What are the key properties of N-(azepan-4-yl)-3-propoxypropanamide?
N-(azepan-4-yl)-3-propoxypropanamide has a molecular weight of 228.34 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-3-propoxypropanamide is sourced from PubChem (CID 107172337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).