N-[(1R)-1-[1-[2-(azepan-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]-2-methoxyacetamide

C18H33N3O2 — CID 95197974

IUPACN-[(1R)-1-[1-[2-(azepan-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H](C)C1=CCCN(CCN2CCCCCC2)C1
InChIInChI=1S/C18H33N3O2/c1-16(19-18(22)15-23-2)17-8-7-11-21(14-17)13-12-20-9-5-3-4-6-10-20/h8,16H,3-7,9-15H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyUWCXUMGYRDXWQB-MRXNPFEDSA-N
MW323.48 g/mol
LogP1.65
Rot. Bonds7

About N-[(1R)-1-[1-[2-(azepan-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]-2-methoxyacetamide

N-[(1R)-1-[1-[2-(azepan-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]-2-methoxyacetamide (PubChem CID 95197974) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is N-[(1R)-1-[1-[2-(azepan-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-[2-(azepan-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]-2-methoxyacetamide
PubChem CID95197974
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC NameN-[(1R)-1-[1-[2-(azepan-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H](C)C1=CCCN(CCN2CCCCCC2)C1
InChIInChI=1S/C18H33N3O2/c1-16(19-18(22)15-23-2)17-8-7-11-21(14-17)13-12-20-9-5-3-4-6-10-20/h8,16H,3-7,9-15H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyUWCXUMGYRDXWQB-MRXNPFEDSA-N
XLogP1.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-[2-(azepan-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]-2-methoxyacetamide?
The IUPAC name of N-[(1R)-1-[1-[2-(azepan-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]-2-methoxyacetamide (CID 95197974) is N-[(1R)-1-[1-[2-(azepan-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(1R)-1-[1-[2-(azepan-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[(1R)-1-[1-[2-(azepan-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]-2-methoxyacetamide is COCC(=O)N[C@H](C)C1=CCCN(CCN2CCCCCC2)C1.
What is the InChIKey of N-[(1R)-1-[1-[2-(azepan-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]-2-methoxyacetamide?
The InChIKey is UWCXUMGYRDXWQB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-16(19-18(22)15-23-2)17-8-7-11-21(14-17)13-12-20-9-5-3-4-6-10-20/h8,16H,3-7,9-15H2,1-2H3,(H,19,22)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-[1-[2-(azepan-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]-2-methoxyacetamide?
N-[(1R)-1-[1-[2-(azepan-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]-2-methoxyacetamide has a molecular weight of 323.48 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-[2-(azepan-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]-2-methoxyacetamide is sourced from PubChem (CID 95197974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).