3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrrolidine-2-carboxamide

C14H26N2O3 — CID 102779077

IUPAC3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NCCCOCC1CCCO1
InChIInChI=1S/C14H26N2O3/c1-11-5-7-15-13(11)14(17)16-6-3-8-18-10-12-4-2-9-19-12/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyLENSMBLQUDVEDP-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.69
Rot. Bonds7

About 3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrrolidine-2-carboxamide

3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrrolidine-2-carboxamide (PubChem CID 102779077) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrrolidine-2-carboxamide
PubChem CID102779077
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NCCCOCC1CCCO1
InChIInChI=1S/C14H26N2O3/c1-11-5-7-15-13(11)14(17)16-6-3-8-18-10-12-4-2-9-19-12/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyLENSMBLQUDVEDP-UHFFFAOYSA-N
XLogP0.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]piperidine-2-carboxamide
CID 114423702
3-methyl-N-(3-propoxypropyl)pyrrolidine-2-carboxamide
CID 102779934
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 107904862
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
(3S)-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]piperidine-3-carboxamide
CID 129392973
3-methyl-N-pentylpyrrolidine-2-carboxamide
CID 102776846
3-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-2-carboxamide
CID 106011258
N-(4-amino-4-oxobutyl)-3-methylpyrrolidine-2-carboxamide
CID 102778285
N-[2-[[N'-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111409222
(2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
CID 79013082
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61276283
2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate
CID 79345576

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrrolidine-2-carboxamide (CID 102779077) is 3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrrolidine-2-carboxamide is CC1CCNC1C(=O)NCCCOCC1CCCO1.
What is the InChIKey of 3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrrolidine-2-carboxamide?
The InChIKey is LENSMBLQUDVEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11-5-7-15-13(11)14(17)16-6-3-8-18-10-12-4-2-9-19-12/h11-13,15H,2-10H2,1H3,(H,16,17).
What are the key properties of 3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrrolidine-2-carboxamide?
3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrrolidine-2-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 102779077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).