2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpropanamide

C11H23N3O2 — CID 106618297

IUPAC2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(CCO)CC1CCCN1
InChIInChI=1S/C11H23N3O2/c1-9(11(16)12-2)14(6-7-15)8-10-4-3-5-13-10/h9-10,13,15H,3-8H2,1-2H3,(H,12,16)
InChIKeyXXZJYGQSFGAVST-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.83
Rot. Bonds6

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

2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpropanamide (PubChem CID 106618297) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpropanamide
PubChem CID106618297
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(CCO)CC1CCCN1
InChIInChI=1S/C11H23N3O2/c1-9(11(16)12-2)14(6-7-15)8-10-4-3-5-13-10/h9-10,13,15H,3-8H2,1-2H3,(H,12,16)
InChIKeyXXZJYGQSFGAVST-UHFFFAOYSA-N
XLogP-0.83
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106617913
N-(ethylcarbamoyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106617964
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-phenylpropanamide
CID 106618033
2-[1-cyclopropylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606811
N-carbamoyl-2-[piperidin-2-ylmethyl(propyl)amino]propanamide
CID 106635848
2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106617509
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide
CID 106615376
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentan-2-ylpropanamide
CID 106615213
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methoxyethyl)propanamide
CID 106616707
2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106607007
N-(methylcarbamoyl)-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106614633
N-butan-2-yl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106617035

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpropanamide?
The IUPAC name of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpropanamide (CID 106618297) is 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpropanamide is CNC(=O)C(C)N(CCO)CC1CCCN1.
What is the InChIKey of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpropanamide?
The InChIKey is XXZJYGQSFGAVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(11(16)12-2)14(6-7-15)8-10-4-3-5-13-10/h9-10,13,15H,3-8H2,1-2H3,(H,12,16).
What are the key properties of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpropanamide?
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpropanamide has a molecular weight of 229.32 g/mol, XLogP of -0.83, 6 rotatable bonds, 3 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-methylpropanamide is sourced from PubChem (CID 106618297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).