4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide

C15H32N2O3 — CID 60909126

IUPAC4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide
SMILESCCCCC(CC)COCC(O)CNCCCC(N)=O
InChIInChI=1S/C15H32N2O3/c1-3-5-7-13(4-2)11-20-12-14(18)10-17-9-6-8-15(16)19/h13-14,17-18H,3-12H2,1-2H3,(H2,16,19)
InChIKeyVUWWKBZSOKVXSI-UHFFFAOYSA-N
MW288.43 g/mol
LogP1.44
Rot. Bonds14

About 4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide

4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide (PubChem CID 60909126) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide.

Molecular Properties

Compound Name4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide
PubChem CID60909126
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide
SMILESCCCCC(CC)COCC(O)CNCCCC(N)=O
InChIInChI=1S/C15H32N2O3/c1-3-5-7-13(4-2)11-20-12-14(18)10-17-9-6-8-15(16)19/h13-14,17-18H,3-12H2,1-2H3,(H2,16,19)
InChIKeyVUWWKBZSOKVXSI-UHFFFAOYSA-N
XLogP1.44
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate
CID 83209198
4-[(2-hydroxy-3-octoxypropyl)amino]butanamide
CID 60908998
methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate
CID 60902673
1-(2-ethylhexoxy)-3-(hex-5-ynylamino)propan-2-ol
CID 106211866
1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol
CID 60633202
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]propanamide
CID 54938909
3-[(3-butoxy-2-hydroxypropyl)amino]propanamide
CID 107262577
1-(2-ethylhexoxy)-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
CID 114467652
3-[3-[6-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexylamino]-2-hydroxypropoxy]propyl-trihydroxysilanuide
CID 163788234
1-(2-ethylhexoxy)-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propan-2-ol
CID 106310378
1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102698045
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464333

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide?
The IUPAC name of 4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide (CID 60909126) is 4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide.
What is the SMILES notation for 4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide?
The canonical SMILES for 4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide is CCCCC(CC)COCC(O)CNCCCC(N)=O.
What is the InChIKey of 4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide?
The InChIKey is VUWWKBZSOKVXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-3-5-7-13(4-2)11-20-12-14(18)10-17-9-6-8-15(16)19/h13-14,17-18H,3-12H2,1-2H3,(H2,16,19).
What are the key properties of 4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide?
4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide has a molecular weight of 288.43 g/mol, XLogP of 1.44, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide is sourced from PubChem (CID 60909126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).