3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide

C13H26N2O2 — CID 119530419

IUPAC3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)CCOC(C)C)C1CCNC1
InChIInChI=1S/C13H26N2O2/c1-4-8-15(12-5-7-14-10-12)13(16)6-9-17-11(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeyZRYMBMKYAZAHMF-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds7

About 3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide

3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide (PubChem CID 119530419) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide
PubChem CID119530419
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)CCOC(C)C)C1CCNC1
InChIInChI=1S/C13H26N2O2/c1-4-8-15(12-5-7-14-10-12)13(16)6-9-17-11(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeyZRYMBMKYAZAHMF-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

5-methoxy-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119531804
N-propyl-N-pyrrolidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806546
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
3,4-dimethyl-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119533162
N-cyclohexyl-5-propan-2-yloxy-N-propylpentanamide
CID 153483419
2-(2-ethoxyethoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119530470
3-(2,2-difluoroethoxy)-N-piperidin-3-yl-N-propylpropanamide
CID 103206370
3-(2-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530663
3-ethyl-4-methyl-N-propyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119530049
3-(5-methyloxolan-2-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119531932
N'-propyl-N'-pyrrolidin-3-ylpropanediamide
CID 119533204
N-piperidin-4-yl-N-propylhexanamide
CID 60807623

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide (CID 119530419) is 3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide is CCCN(C(=O)CCOC(C)C)C1CCNC1.
What is the InChIKey of 3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide?
The InChIKey is ZRYMBMKYAZAHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-8-15(12-5-7-14-10-12)13(16)6-9-17-11(2)3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide?
3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119530419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).