N-tert-butyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide

C14H29N3O — CID 106616037

IUPACN-tert-butyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESCCCN(CC(=O)NC(C)(C)C)CC1CCCN1
InChIInChI=1S/C14H29N3O/c1-5-9-17(10-12-7-6-8-15-12)11-13(18)16-14(2,3)4/h12,15H,5-11H2,1-4H3,(H,16,18)
InChIKeyXKMSYRLQWGSLMA-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.37
Rot. Bonds6

About N-tert-butyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide

N-tert-butyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide (PubChem CID 106616037) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-tert-butyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
PubChem CID106616037
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-tert-butyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESCCCN(CC(=O)NC(C)(C)C)CC1CCCN1
InChIInChI=1S/C14H29N3O/c1-5-9-17(10-12-7-6-8-15-12)11-13(18)16-14(2,3)4/h12,15H,5-11H2,1-4H3,(H,16,18)
InChIKeyXKMSYRLQWGSLMA-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutan-2-yl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide
CID 106635885
2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106615942
N-(tert-butylcarbamoyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615007
2-[piperidin-2-ylmethyl(propyl)amino]-N-propylacetamide
CID 106636145
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylacetamide
CID 106616577
N-(ethylcarbamoyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide
CID 106636038
N-(4-fluorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615599
N-(2-methylpropylcarbamoyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615591
2-[ethyl(piperidin-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 106632408
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-cyclopropylacetamide
CID 106616609
2-[piperidin-2-ylmethyl(propyl)amino]-N-(propylcarbamoyl)acetamide
CID 106635938
N-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616029

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide (CID 106616037) is N-tert-butyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide is CCCN(CC(=O)NC(C)(C)C)CC1CCCN1.
What is the InChIKey of N-tert-butyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The InChIKey is XKMSYRLQWGSLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-9-17(10-12-7-6-8-15-12)11-13(18)16-14(2,3)4/h12,15H,5-11H2,1-4H3,(H,16,18).
What are the key properties of N-tert-butyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide?
N-tert-butyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide has a molecular weight of 255.41 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 106616037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).