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

C10H21NO2 — CID 134356705

IUPACN-(3-butoxy-2-methylpropyl)acetamide
SMILESCCCCOCC(C)CNC(C)=O
InChIInChI=1S/C10H21NO2/c1-4-5-6-13-8-9(2)7-11-10(3)12/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyYQSUDZVVLQWKSZ-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.58
Rot. Bonds7

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

N-(3-butoxy-2-methylpropyl)acetamide (PubChem CID 134356705) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-(3-butoxy-2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-(3-butoxy-2-methylpropyl)acetamide
PubChem CID134356705
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-(3-butoxy-2-methylpropyl)acetamide
SMILESCCCCOCC(C)CNC(C)=O
InChIInChI=1S/C10H21NO2/c1-4-5-6-13-8-9(2)7-11-10(3)12/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyYQSUDZVVLQWKSZ-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxy-2-hydroxypropyl)acetamide
CID 45119319
fluoromethane;N-[(2R)-2-methylhexyl]acetamide
CID 145149419
(2R)-2-amino-N-(2-methyl-3-octadecoxypropyl)propanamide;ethane
CID 142168417
2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
CID 129238388
methyl (2R)-3-butoxy-2-methylpropanoate
CID 88918019
N-[2-methyl-5-(methylamino)pentyl]acetamide
CID 162925431
N-[2-(2-butoxyethoxy)ethyl]acetamide;ethane
CID 163393772
(2S)-1-butoxy-3-methoxy-2-methylpropane
CID 90383590
1-butoxybutane;propan-2-one
CID 18424800
N-[2-fluoro-3-[3-[3-(methylamino)propoxy]propoxy]propyl]acetamide
CID 153390576
2-[(1-acetamido-3-dodecoxypropan-2-yl)oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 23313170
(2S)-1-butoxypropan-2-ol
CID 54289557

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxy-2-methylpropyl)acetamide?
The IUPAC name of N-(3-butoxy-2-methylpropyl)acetamide (CID 134356705) is N-(3-butoxy-2-methylpropyl)acetamide.
What is the SMILES notation for N-(3-butoxy-2-methylpropyl)acetamide?
The canonical SMILES for N-(3-butoxy-2-methylpropyl)acetamide is CCCCOCC(C)CNC(C)=O.
What is the InChIKey of N-(3-butoxy-2-methylpropyl)acetamide?
The InChIKey is YQSUDZVVLQWKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-5-6-13-8-9(2)7-11-10(3)12/h9H,4-8H2,1-3H3,(H,11,12).
What are the key properties of N-(3-butoxy-2-methylpropyl)acetamide?
N-(3-butoxy-2-methylpropyl)acetamide has a molecular weight of 187.28 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxy-2-methylpropyl)acetamide is sourced from PubChem (CID 134356705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).