2-[2-hydroxyethyl(pentan-3-yl)amino]-N-propylacetamide

C12H26N2O2 — CID 62016057

IUPAC2-[2-hydroxyethyl(pentan-3-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCO)C(CC)CC
InChIInChI=1S/C12H26N2O2/c1-4-7-13-12(16)10-14(8-9-15)11(5-2)6-3/h11,15H,4-10H2,1-3H3,(H,13,16)
InChIKeyYKXWRKMONORXED-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.00
Rot. Bonds9

About 2-[2-hydroxyethyl(pentan-3-yl)amino]-N-propylacetamide

2-[2-hydroxyethyl(pentan-3-yl)amino]-N-propylacetamide (PubChem CID 62016057) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(pentan-3-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(pentan-3-yl)amino]-N-propylacetamide
PubChem CID62016057
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-[2-hydroxyethyl(pentan-3-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCO)C(CC)CC
InChIInChI=1S/C12H26N2O2/c1-4-7-13-12(16)10-14(8-9-15)11(5-2)6-3/h11,15H,4-10H2,1-3H3,(H,13,16)
InChIKeyYKXWRKMONORXED-UHFFFAOYSA-N
XLogP1.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[2-[2-hydroxyethyl(pentan-3-yl)amino]acetyl]amino]butanoate
CID 62015098
2-[2-hydroxyethyl(pentan-3-yl)amino]-N-pentan-2-ylacetamide
CID 62016068
2-[bis(2-hydroxyethyl)amino]-N-propylacetamide
CID 60686308
N-cyclopentyl-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide
CID 62015869
N-(2-methoxyethyl)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-pentan-3-ylamino]acetamide
CID 55640369
3-[2-hydroxyethyl(pentan-3-yl)amino]propanehydrazide
CID 63585165
2-[2-aminoethyl(pentan-3-yl)amino]-N-(2-methoxyethyl)acetamide
CID 63763709
2-[acetyl(propan-2-yl)amino]-N-propylacetamide
CID 113158097
2-[2-(chloromethyl)prop-2-enyl-pentan-3-ylamino]ethanol
CID 103067751
N-(2-aminoethyl)-2-[methyl(pentan-3-yl)amino]acetamide
CID 61209052
2-[(1-amino-1-sulfanylidenepentan-3-yl)-methylamino]-N-propylacetamide
CID 61451371
2-[ethyl(propyl)amino]-N-propylacetamide
CID 135183244

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(pentan-3-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[2-hydroxyethyl(pentan-3-yl)amino]-N-propylacetamide (CID 62016057) is 2-[2-hydroxyethyl(pentan-3-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[2-hydroxyethyl(pentan-3-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[2-hydroxyethyl(pentan-3-yl)amino]-N-propylacetamide is CCCNC(=O)CN(CCO)C(CC)CC.
What is the InChIKey of 2-[2-hydroxyethyl(pentan-3-yl)amino]-N-propylacetamide?
The InChIKey is YKXWRKMONORXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-7-13-12(16)10-14(8-9-15)11(5-2)6-3/h11,15H,4-10H2,1-3H3,(H,13,16).
What are the key properties of 2-[2-hydroxyethyl(pentan-3-yl)amino]-N-propylacetamide?
2-[2-hydroxyethyl(pentan-3-yl)amino]-N-propylacetamide has a molecular weight of 230.35 g/mol, XLogP of 1.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(pentan-3-yl)amino]-N-propylacetamide is sourced from PubChem (CID 62016057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).