N-(3-butoxy-2-hydroxypropyl)acetamide

C9H19NO3 — CID 45119319

IUPACN-(3-butoxy-2-hydroxypropyl)acetamide
SMILESCCCCOCC(O)CNC(C)=O
InChIInChI=1S/C9H19NO3/c1-3-4-5-13-7-9(12)6-10-8(2)11/h9,12H,3-7H2,1-2H3,(H,10,11)
InChIKeySZEYUBPVBXOHFM-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.30
Rot. Bonds7

About N-(3-butoxy-2-hydroxypropyl)acetamide

N-(3-butoxy-2-hydroxypropyl)acetamide (PubChem CID 45119319) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is N-(3-butoxy-2-hydroxypropyl)acetamide.

Molecular Properties

Compound NameN-(3-butoxy-2-hydroxypropyl)acetamide
PubChem CID45119319
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC NameN-(3-butoxy-2-hydroxypropyl)acetamide
SMILESCCCCOCC(O)CNC(C)=O
InChIInChI=1S/C9H19NO3/c1-3-4-5-13-7-9(12)6-10-8(2)11/h9,12H,3-7H2,1-2H3,(H,10,11)
InChIKeySZEYUBPVBXOHFM-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxy-2-methylpropyl)acetamide
CID 134356705
N-[(2S)-2-hydroxyheptyl]acetamide
CID 11686981
2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-N-ethylpropanamide
CID 61477156
3-[(3-butoxy-2-hydroxypropyl)amino]propanamide
CID 107262577
(2R)-1-butoxybutan-2-ol
CID 27255938
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
N-[3-(2-hydroxy-3-methoxypropoxy)propyl]acetamide
CID 146474260
(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731
1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 107262665

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxy-2-hydroxypropyl)acetamide?
The IUPAC name of N-(3-butoxy-2-hydroxypropyl)acetamide (CID 45119319) is N-(3-butoxy-2-hydroxypropyl)acetamide.
What is the SMILES notation for N-(3-butoxy-2-hydroxypropyl)acetamide?
The canonical SMILES for N-(3-butoxy-2-hydroxypropyl)acetamide is CCCCOCC(O)CNC(C)=O.
What is the InChIKey of N-(3-butoxy-2-hydroxypropyl)acetamide?
The InChIKey is SZEYUBPVBXOHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-3-4-5-13-7-9(12)6-10-8(2)11/h9,12H,3-7H2,1-2H3,(H,10,11).
What are the key properties of N-(3-butoxy-2-hydroxypropyl)acetamide?
N-(3-butoxy-2-hydroxypropyl)acetamide has a molecular weight of 189.25 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxy-2-hydroxypropyl)acetamide is sourced from PubChem (CID 45119319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).