2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dipropylacetamide

C15H31N3O2 — CID 106617900

IUPAC2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(CCO)CC1CCCN1
InChIInChI=1S/C15H31N3O2/c1-3-8-18(9-4-2)15(20)13-17(10-11-19)12-14-6-5-7-16-14/h14,16,19H,3-13H2,1-2H3
InChIKeyXBVZIACFQDHAEK-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.68
Rot. Bonds10

About 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dipropylacetamide

2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dipropylacetamide (PubChem CID 106617900) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dipropylacetamide
PubChem CID106617900
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(CCO)CC1CCCN1
InChIInChI=1S/C15H31N3O2/c1-3-8-18(9-4-2)15(20)13-17(10-11-19)12-14-6-5-7-16-14/h14,16,19H,3-13H2,1-2H3
InChIKeyXBVZIACFQDHAEK-UHFFFAOYSA-N
XLogP0.68
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetate
CID 106617961
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106617908
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 106616738
N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610515
2-[2-methylidenebutyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618252
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 106618351
N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610345
2-[2-ethylsulfonylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618300
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylethanone
CID 106618152
1-ethoxy-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106617981
2-[2-(dimethylamino)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618094
N-tert-butyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616037

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dipropylacetamide?
The IUPAC name of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dipropylacetamide (CID 106617900) is 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN(CCO)CC1CCCN1.
What is the InChIKey of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dipropylacetamide?
The InChIKey is XBVZIACFQDHAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-3-8-18(9-4-2)15(20)13-17(10-11-19)12-14-6-5-7-16-14/h14,16,19H,3-13H2,1-2H3.
What are the key properties of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dipropylacetamide?
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dipropylacetamide has a molecular weight of 285.43 g/mol, XLogP of 0.68, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dipropylacetamide is sourced from PubChem (CID 106617900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).