N-[(4-methyloxan-4-yl)methyl]-3-pyrrolidin-3-ylpropanamide

C14H26N2O2 — CID 103859951

IUPACN-[(4-methyloxan-4-yl)methyl]-3-pyrrolidin-3-ylpropanamide
SMILESCC1(CNC(=O)CCC2CCNC2)CCOCC1
InChIInChI=1S/C14H26N2O2/c1-14(5-8-18-9-6-14)11-16-13(17)3-2-12-4-7-15-10-12/h12,15H,2-11H2,1H3,(H,16,17)
InChIKeyWABQHRVSVZPRLV-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.31
Rot. Bonds5

About N-[(4-methyloxan-4-yl)methyl]-3-pyrrolidin-3-ylpropanamide

N-[(4-methyloxan-4-yl)methyl]-3-pyrrolidin-3-ylpropanamide (PubChem CID 103859951) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-3-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-3-pyrrolidin-3-ylpropanamide
PubChem CID103859951
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-3-pyrrolidin-3-ylpropanamide
SMILESCC1(CNC(=O)CCC2CCNC2)CCOCC1
InChIInChI=1S/C14H26N2O2/c1-14(5-8-18-9-6-14)11-16-13(17)3-2-12-4-7-15-10-12/h12,15H,2-11H2,1H3,(H,16,17)
InChIKeyWABQHRVSVZPRLV-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-propan-2-ylcyclopropyl)methyl]-3-pyrrolidin-3-ylpropanamide
CID 103859941
N-[(4-hydroxyoxan-4-yl)methyl]-2-pyrrolidin-3-ylacetamide
CID 81130731
N-[(3-methoxyoxolan-3-yl)methyl]-3-piperidin-3-ylpropanamide
CID 104761551
N-(3-morpholin-4-yl-3-oxopropyl)-3-pyrrolidin-3-ylpropanamide
CID 115774812
N-[(1-methoxycyclobutyl)methyl]-3-piperidin-3-ylpropanamide
CID 114119240
2-(cyclopropylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide
CID 103843990
N-[(1-methylcyclohexyl)methyl]-2-piperidin-4-ylacetamide
CID 113267305
2-(1-acetylpiperidin-4-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide
CID 91914833
2,2-dimethyl-3-(3-pyrrolidin-3-ylpropanoylamino)propanamide
CID 103859907
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 116605977
1-(oxan-4-yl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606037
N-[[1-(methylaminomethyl)cyclobutyl]methyl]-3-(oxan-4-yl)propanamide
CID 115272152

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-3-pyrrolidin-3-ylpropanamide?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-3-pyrrolidin-3-ylpropanamide (CID 103859951) is N-[(4-methyloxan-4-yl)methyl]-3-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-3-pyrrolidin-3-ylpropanamide?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-3-pyrrolidin-3-ylpropanamide is CC1(CNC(=O)CCC2CCNC2)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-3-pyrrolidin-3-ylpropanamide?
The InChIKey is WABQHRVSVZPRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(5-8-18-9-6-14)11-16-13(17)3-2-12-4-7-15-10-12/h12,15H,2-11H2,1H3,(H,16,17).
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-3-pyrrolidin-3-ylpropanamide?
N-[(4-methyloxan-4-yl)methyl]-3-pyrrolidin-3-ylpropanamide has a molecular weight of 254.37 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-3-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 103859951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).