3-methoxy-3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)butanamide

C14H28N2O2 — CID 106610288

IUPAC3-methoxy-3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)butanamide
SMILESCCCN(CC1CCCN1)C(=O)CC(C)(C)OC
InChIInChI=1S/C14H28N2O2/c1-5-9-16(11-12-7-6-8-15-12)13(17)10-14(2,3)18-4/h12,15H,5-11H2,1-4H3
InChIKeyKBUHRZSUQNIAKP-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.79
Rot. Bonds7

About 3-methoxy-3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)butanamide

3-methoxy-3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)butanamide (PubChem CID 106610288) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)butanamide
PubChem CID106610288
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-methoxy-3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)butanamide
SMILESCCCN(CC1CCCN1)C(=O)CC(C)(C)OC
InChIInChI=1S/C14H28N2O2/c1-5-9-16(11-12-7-6-8-15-12)13(17)10-14(2,3)18-4/h12,15H,5-11H2,1-4H3
InChIKeyKBUHRZSUQNIAKP-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610515
2-methoxy-2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 114106076
N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610345
3,5,5-trimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)hexanamide
CID 106610480
N-propyl-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 106610292
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611388
N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612022
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106611566
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclobutanecarboxamide
CID 106610516
3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610729
2-cycloheptyl-N-(piperidin-2-ylmethyl)-N-propylacetamide
CID 106625612
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dipropylacetamide
CID 106617900

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)butanamide?
The IUPAC name of 3-methoxy-3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)butanamide (CID 106610288) is 3-methoxy-3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)butanamide.
What is the SMILES notation for 3-methoxy-3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)butanamide?
The canonical SMILES for 3-methoxy-3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)butanamide is CCCN(CC1CCCN1)C(=O)CC(C)(C)OC.
What is the InChIKey of 3-methoxy-3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)butanamide?
The InChIKey is KBUHRZSUQNIAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-9-16(11-12-7-6-8-15-12)13(17)10-14(2,3)18-4/h12,15H,5-11H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)butanamide?
3-methoxy-3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)butanamide has a molecular weight of 256.39 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)butanamide is sourced from PubChem (CID 106610288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).