N-(3-methylpyrrolidin-3-yl)-3-propoxypropanamide

C11H22N2O2 — CID 107422647

IUPACN-(3-methylpyrrolidin-3-yl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NC1(C)CCNC1
InChIInChI=1S/C11H22N2O2/c1-3-7-15-8-4-10(14)13-11(2)5-6-12-9-11/h12H,3-9H2,1-2H3,(H,13,14)
InChIKeyXQJYDSSGRLWNDS-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.67
Rot. Bonds6

About N-(3-methylpyrrolidin-3-yl)-3-propoxypropanamide

N-(3-methylpyrrolidin-3-yl)-3-propoxypropanamide (PubChem CID 107422647) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(3-methylpyrrolidin-3-yl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(3-methylpyrrolidin-3-yl)-3-propoxypropanamide
PubChem CID107422647
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-(3-methylpyrrolidin-3-yl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NC1(C)CCNC1
InChIInChI=1S/C11H22N2O2/c1-3-7-15-8-4-10(14)13-11(2)5-6-12-9-11/h12H,3-9H2,1-2H3,(H,13,14)
InChIKeyXQJYDSSGRLWNDS-UHFFFAOYSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylpyrrolidin-3-yl)decanamide
CID 107422812
2-ethoxy-N-(3-methylpyrrolidin-3-yl)acetamide
CID 107422673
3,3-difluoro-N-(3-methylpyrrolidin-3-yl)butanamide
CID 130628505
N-(4-methylpiperidin-4-yl)propanamide
CID 114696244
3-imidazol-1-yl-N-(3-methylpyrrolidin-3-yl)propanamide
CID 107422539
N-ethyl-3-methylpyrrolidin-3-amine
CID 107423762
5-[[13-(4-carboxybutanoylamino)-6,13-dimethyl-1,4,8,11-tetrazacyclotetradec-6-yl]amino]-5-oxopentanoic acid
CID 46219136
N-[(1-hydroxycyclohexyl)methyl]-3-propoxypropanamide
CID 65114001
N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide
CID 144855445
3-methyl-N-(4-methylpiperidin-4-yl)pentanamide
CID 114875717
propyl 3-methylpyrrolidine-3-carboxylate
CID 63145112
2-propoxyethyl 4-ethylpiperidine-4-carboxylate
CID 63686530

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpyrrolidin-3-yl)-3-propoxypropanamide?
The IUPAC name of N-(3-methylpyrrolidin-3-yl)-3-propoxypropanamide (CID 107422647) is N-(3-methylpyrrolidin-3-yl)-3-propoxypropanamide.
What is the SMILES notation for N-(3-methylpyrrolidin-3-yl)-3-propoxypropanamide?
The canonical SMILES for N-(3-methylpyrrolidin-3-yl)-3-propoxypropanamide is CCCOCCC(=O)NC1(C)CCNC1.
What is the InChIKey of N-(3-methylpyrrolidin-3-yl)-3-propoxypropanamide?
The InChIKey is XQJYDSSGRLWNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-7-15-8-4-10(14)13-11(2)5-6-12-9-11/h12H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-(3-methylpyrrolidin-3-yl)-3-propoxypropanamide?
N-(3-methylpyrrolidin-3-yl)-3-propoxypropanamide has a molecular weight of 214.31 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpyrrolidin-3-yl)-3-propoxypropanamide is sourced from PubChem (CID 107422647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).