2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-N-methylpropanamide

C15H32N2O3 — CID 61464333

IUPAC2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
SMILESCCCCC(CC)COCC(O)CNC(C)C(=O)NC
InChIInChI=1S/C15H32N2O3/c1-5-7-8-13(6-2)10-20-11-14(18)9-17-12(3)15(19)16-4/h12-14,17-18H,5-11H2,1-4H3,(H,16,19)
InChIKeyMPKLGRHMNYJWPW-UHFFFAOYSA-N
MW288.43 g/mol
LogP1.30
Rot. Bonds12

About 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-N-methylpropanamide

2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-N-methylpropanamide (PubChem CID 61464333) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
PubChem CID61464333
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
SMILESCCCCC(CC)COCC(O)CNC(C)C(=O)NC
InChIInChI=1S/C15H32N2O3/c1-5-7-8-13(6-2)10-20-11-14(18)9-17-12(3)15(19)16-4/h12-14,17-18H,5-11H2,1-4H3,(H,16,19)
InChIKeyMPKLGRHMNYJWPW-UHFFFAOYSA-N
XLogP1.30
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]propanamide
CID 54938909
1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463680
1-(but-3-yn-2-ylamino)-3-(2-ethylhexoxy)propan-2-ol
CID 114416911
1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol
CID 64604441
4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide
CID 60909126
methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate
CID 60902673
CID 88753128
CID 88753128
1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol
CID 115591833
1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102698045
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate
CID 83209198
(2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol
CID 73416378
N-[1-[3-(2-ethylhexoxy)-2-hydroxypropyl]piperidin-1-ium-1-yl]-2-hydroxypropanamide
CID 168834956

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-N-methylpropanamide?
The IUPAC name of 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-N-methylpropanamide (CID 61464333) is 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-N-methylpropanamide is CCCCC(CC)COCC(O)CNC(C)C(=O)NC.
What is the InChIKey of 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-N-methylpropanamide?
The InChIKey is MPKLGRHMNYJWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-5-7-8-13(6-2)10-20-11-14(18)9-17-12(3)15(19)16-4/h12-14,17-18H,5-11H2,1-4H3,(H,16,19).
What are the key properties of 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-N-methylpropanamide?
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-N-methylpropanamide has a molecular weight of 288.43 g/mol, XLogP of 1.30, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-N-methylpropanamide is sourced from PubChem (CID 61464333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).