N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide

C13H26N2O2 — CID 106612022

IUPACN-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCCCCN(CC1CCCN1)C(=O)CCOC
InChIInChI=1S/C13H26N2O2/c1-3-4-9-15(13(16)7-10-17-2)11-12-6-5-8-14-12/h12,14H,3-11H2,1-2H3
InChIKeyHNPNJKGSNMZIJT-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds8

About N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide

N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide (PubChem CID 106612022) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide
PubChem CID106612022
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCCCCN(CC1CCCN1)C(=O)CCOC
InChIInChI=1S/C13H26N2O2/c1-3-4-9-15(13(16)7-10-17-2)11-12-6-5-8-14-12/h12,14H,3-11H2,1-2H3
InChIKeyHNPNJKGSNMZIJT-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611388
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106611566
1-butyl-3,3-dimethyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613384
3-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106607554
3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610729
N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610515
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pentanamide
CID 106611015
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616773
N-butyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylacetamide
CID 106612363
2-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611787
N-butyl-N-(pyrrolidin-2-ylmethyl)cyclopent-3-ene-1-carboxamide
CID 106612077
3-methoxy-3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106610288

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide?
The IUPAC name of N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide (CID 106612022) is N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide.
What is the SMILES notation for N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide?
The canonical SMILES for N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide is CCCCN(CC1CCCN1)C(=O)CCOC.
What is the InChIKey of N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide?
The InChIKey is HNPNJKGSNMZIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-4-9-15(13(16)7-10-17-2)11-12-6-5-8-14-12/h12,14H,3-11H2,1-2H3.
What are the key properties of N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide?
N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide is sourced from PubChem (CID 106612022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).