4-[(2-hydroxy-3-octoxypropyl)amino]butanamide

C15H32N2O3 — CID 60908998

IUPAC4-[(2-hydroxy-3-octoxypropyl)amino]butanamide
SMILESCCCCCCCCOCC(O)CNCCCC(N)=O
InChIInChI=1S/C15H32N2O3/c1-2-3-4-5-6-7-11-20-13-14(18)12-17-10-8-9-15(16)19/h14,17-18H,2-13H2,1H3,(H2,16,19)
InChIKeyQBGXMRZHHSJLPA-UHFFFAOYSA-N
MW288.43 g/mol
LogP1.58
Rot. Bonds15

About 4-[(2-hydroxy-3-octoxypropyl)amino]butanamide

4-[(2-hydroxy-3-octoxypropyl)amino]butanamide (PubChem CID 60908998) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-octoxypropyl)amino]butanamide.

Molecular Properties

Compound Name4-[(2-hydroxy-3-octoxypropyl)amino]butanamide
PubChem CID60908998
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name4-[(2-hydroxy-3-octoxypropyl)amino]butanamide
SMILESCCCCCCCCOCC(O)CNCCCC(N)=O
InChIInChI=1S/C15H32N2O3/c1-2-3-4-5-6-7-11-20-13-14(18)12-17-10-8-9-15(16)19/h14,17-18H,2-13H2,1H3,(H2,16,19)
InChIKeyQBGXMRZHHSJLPA-UHFFFAOYSA-N
XLogP1.58
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 51.58
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

3-[(3-butoxy-2-hydroxypropyl)amino]propanamide
CID 107262577
2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate
CID 83209945
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol
CID 106130441
1-(3-hydroxypropylamino)-3-octoxypropan-2-ol
CID 60634002
1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
CID 60634251
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide
CID 106276376
4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide
CID 60909126
(2S)-2-amino-6-[(3-dodecoxy-2-hydroxypropyl)amino]hexanoic acid;hydrochloride
CID 18392215
3-[(2-hydroxy-3-octoxypropyl)amino]-3-methylbutanamide
CID 104580494
3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanamide
CID 60910580

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-octoxypropyl)amino]butanamide?
The IUPAC name of 4-[(2-hydroxy-3-octoxypropyl)amino]butanamide (CID 60908998) is 4-[(2-hydroxy-3-octoxypropyl)amino]butanamide.
What is the SMILES notation for 4-[(2-hydroxy-3-octoxypropyl)amino]butanamide?
The canonical SMILES for 4-[(2-hydroxy-3-octoxypropyl)amino]butanamide is CCCCCCCCOCC(O)CNCCCC(N)=O.
What is the InChIKey of 4-[(2-hydroxy-3-octoxypropyl)amino]butanamide?
The InChIKey is QBGXMRZHHSJLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-2-3-4-5-6-7-11-20-13-14(18)12-17-10-8-9-15(16)19/h14,17-18H,2-13H2,1H3,(H2,16,19).
What are the key properties of 4-[(2-hydroxy-3-octoxypropyl)amino]butanamide?
4-[(2-hydroxy-3-octoxypropyl)amino]butanamide has a molecular weight of 288.43 g/mol, XLogP of 1.58, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-3-octoxypropyl)amino]butanamide is sourced from PubChem (CID 60908998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).