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

C13H26N2O2 — CID 107172545

IUPACN-(azepan-4-yl)-N-methyl-3-propoxypropanamide
SMILESCCCOCCC(=O)N(C)C1CCCNCC1
InChIInChI=1S/C13H26N2O2/c1-3-10-17-11-7-13(16)15(2)12-5-4-8-14-9-6-12/h12,14H,3-11H2,1-2H3
InChIKeyIQAMMCXFURIFGB-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds6

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

N-(azepan-4-yl)-N-methyl-3-propoxypropanamide (PubChem CID 107172545) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(azepan-4-yl)-N-methyl-3-propoxypropanamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-N-methyl-3-propoxypropanamide
PubChem CID107172545
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(azepan-4-yl)-N-methyl-3-propoxypropanamide
SMILESCCCOCCC(=O)N(C)C1CCCNCC1
InChIInChI=1S/C13H26N2O2/c1-3-10-17-11-7-13(16)15(2)12-5-4-8-14-9-6-12/h12,14H,3-11H2,1-2H3
InChIKeyIQAMMCXFURIFGB-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(azepan-4-yl)-4-methoxy-N-methylbutanamide
CID 104974697
3-(2,2-difluoroethoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 103209354
N-methyl-3-(oxolan-2-ylmethoxy)-N-piperidin-4-ylpropanamide
CID 119441358
N-methyl-N-piperidin-4-ylheptanamide
CID 115736784
2-hydroxy-N-methyl-N-piperidin-4-ylacetamide
CID 89098845
N-(azepan-4-yl)-3-propoxypropanamide
CID 107172337
N-(azepan-4-yl)-N-methyl-3-phenylpropanamide
CID 104974503
3-cyclopropyl-N-methyl-N-piperidin-4-ylpropanamide
CID 119441464
3-(3,5-dimethylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 119443487
2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide
CID 113361714
ethyl 2-[azepan-4-yl(methyl)amino]pentanoate
CID 107173439
N-methyl-N-[(3S)-piperidin-3-yl]propanamide
CID 93313714

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-N-methyl-3-propoxypropanamide?
The IUPAC name of N-(azepan-4-yl)-N-methyl-3-propoxypropanamide (CID 107172545) is N-(azepan-4-yl)-N-methyl-3-propoxypropanamide.
What is the SMILES notation for N-(azepan-4-yl)-N-methyl-3-propoxypropanamide?
The canonical SMILES for N-(azepan-4-yl)-N-methyl-3-propoxypropanamide is CCCOCCC(=O)N(C)C1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-N-methyl-3-propoxypropanamide?
The InChIKey is IQAMMCXFURIFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-10-17-11-7-13(16)15(2)12-5-4-8-14-9-6-12/h12,14H,3-11H2,1-2H3.
What are the key properties of N-(azepan-4-yl)-N-methyl-3-propoxypropanamide?
N-(azepan-4-yl)-N-methyl-3-propoxypropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-N-methyl-3-propoxypropanamide is sourced from PubChem (CID 107172545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).