N-(azepan-4-yl)-4-methoxy-N-methylbutanamide

C12H24N2O2 — CID 104974697

IUPACN-(azepan-4-yl)-4-methoxy-N-methylbutanamide
SMILESCOCCCC(=O)N(C)C1CCCNCC1
InChIInChI=1S/C12H24N2O2/c1-14(12(15)6-4-10-16-2)11-5-3-8-13-9-7-11/h11,13H,3-10H2,1-2H3
InChIKeyJVMWWDNXNUCIGW-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds5

About N-(azepan-4-yl)-4-methoxy-N-methylbutanamide

N-(azepan-4-yl)-4-methoxy-N-methylbutanamide (PubChem CID 104974697) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(azepan-4-yl)-4-methoxy-N-methylbutanamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-4-methoxy-N-methylbutanamide
PubChem CID104974697
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(azepan-4-yl)-4-methoxy-N-methylbutanamide
SMILESCOCCCC(=O)N(C)C1CCCNCC1
InChIInChI=1S/C12H24N2O2/c1-14(12(15)6-4-10-16-2)11-5-3-8-13-9-7-11/h11,13H,3-10H2,1-2H3
InChIKeyJVMWWDNXNUCIGW-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
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)-N-methyl-3-propoxypropanamide
CID 107172545
4-methoxy-N-methyl-N-(4-propan-2-ylcyclohexyl)butanamide
CID 58394583
N-methyl-N-piperidin-4-ylheptanamide
CID 115736784
2-hydroxy-N-methyl-N-piperidin-4-ylacetamide
CID 89098845
N'-methyl-N'-piperidin-4-yl-N-propan-2-ylpentanediamide
CID 119442340
N-(azepan-4-yl)-N-methyl-3-phenylpropanamide
CID 104974503
3-cyclopropyl-N-methyl-N-piperidin-4-ylpropanamide
CID 119441464
4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-piperidin-4-ylbutanamide
CID 119443099
N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide
CID 119442665
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide
CID 119550914
3-(2,2-difluoroethoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 103209354
N-methyl-3-methylsulfonyl-N-piperidin-4-ylpropanamide
CID 61003895

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-4-methoxy-N-methylbutanamide?
The IUPAC name of N-(azepan-4-yl)-4-methoxy-N-methylbutanamide (CID 104974697) is N-(azepan-4-yl)-4-methoxy-N-methylbutanamide.
What is the SMILES notation for N-(azepan-4-yl)-4-methoxy-N-methylbutanamide?
The canonical SMILES for N-(azepan-4-yl)-4-methoxy-N-methylbutanamide is COCCCC(=O)N(C)C1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-4-methoxy-N-methylbutanamide?
The InChIKey is JVMWWDNXNUCIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-14(12(15)6-4-10-16-2)11-5-3-8-13-9-7-11/h11,13H,3-10H2,1-2H3.
What are the key properties of N-(azepan-4-yl)-4-methoxy-N-methylbutanamide?
N-(azepan-4-yl)-4-methoxy-N-methylbutanamide has a molecular weight of 228.34 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-4-methoxy-N-methylbutanamide is sourced from PubChem (CID 104974697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).