3-[(2-hydroxy-3-octoxypropyl)amino]-3-methylbutanamide

C16H34N2O3 — CID 104580494

IUPAC3-[(2-hydroxy-3-octoxypropyl)amino]-3-methylbutanamide
SMILESCCCCCCCCOCC(O)CNC(C)(C)CC(N)=O
InChIInChI=1S/C16H34N2O3/c1-4-5-6-7-8-9-10-21-13-14(19)12-18-16(2,3)11-15(17)20/h14,18-19H,4-13H2,1-3H3,(H2,17,20)
InChIKeyFOEYIVLMQGSACL-UHFFFAOYSA-N
MW302.46 g/mol
LogP1.97
Rot. Bonds14

About 3-[(2-hydroxy-3-octoxypropyl)amino]-3-methylbutanamide

3-[(2-hydroxy-3-octoxypropyl)amino]-3-methylbutanamide (PubChem CID 104580494) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-octoxypropyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(2-hydroxy-3-octoxypropyl)amino]-3-methylbutanamide
PubChem CID104580494
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Name3-[(2-hydroxy-3-octoxypropyl)amino]-3-methylbutanamide
SMILESCCCCCCCCOCC(O)CNC(C)(C)CC(N)=O
InChIInChI=1S/C16H34N2O3/c1-4-5-6-7-8-9-10-21-13-14(19)12-18-16(2,3)11-15(17)20/h14,18-19H,4-13H2,1-3H3,(H2,17,20)
InChIKeyFOEYIVLMQGSACL-UHFFFAOYSA-N
XLogP1.97
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 51.97
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-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide
CID 104580472
1-(tert-butylamino)-3-hexadecoxypropan-2-ol
CID 3067046
4-[(2-hydroxy-3-octoxypropyl)amino]butanamide
CID 60908998
3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide
CID 106276376
3-[(3-hexoxy-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol
CID 103993473
2-[(3-heptadecoxy-2-hydroxypropyl)amino]-2-methylpropane-1,3-diol
CID 59593571
2-[(3-butoxy-2-hydroxypropyl)amino]-2,3-dimethylbutanamide
CID 112738116
2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate
CID 83209945
2-[(2-hydroxy-3-octoxypropyl)amino]propanamide
CID 54938860
3-[(3-butoxy-2-hydroxypropyl)amino]propanamide
CID 107262577
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-(3-hydroxypropylamino)-3-octoxypropan-2-ol
CID 60634002

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-octoxypropyl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(2-hydroxy-3-octoxypropyl)amino]-3-methylbutanamide (CID 104580494) is 3-[(2-hydroxy-3-octoxypropyl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(2-hydroxy-3-octoxypropyl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(2-hydroxy-3-octoxypropyl)amino]-3-methylbutanamide is CCCCCCCCOCC(O)CNC(C)(C)CC(N)=O.
What is the InChIKey of 3-[(2-hydroxy-3-octoxypropyl)amino]-3-methylbutanamide?
The InChIKey is FOEYIVLMQGSACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-4-5-6-7-8-9-10-21-13-14(19)12-18-16(2,3)11-15(17)20/h14,18-19H,4-13H2,1-3H3,(H2,17,20).
What are the key properties of 3-[(2-hydroxy-3-octoxypropyl)amino]-3-methylbutanamide?
3-[(2-hydroxy-3-octoxypropyl)amino]-3-methylbutanamide has a molecular weight of 302.46 g/mol, XLogP of 1.97, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-3-octoxypropyl)amino]-3-methylbutanamide is sourced from PubChem (CID 104580494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).