N-butan-2-yl-N-butyl-2-propan-2-yloxyacetamide

C13H27NO2 — CID 112687224

IUPACN-butan-2-yl-N-butyl-2-propan-2-yloxyacetamide
SMILESCCCCN(C(=O)COC(C)C)C(C)CC
InChIInChI=1S/C13H27NO2/c1-6-8-9-14(12(5)7-2)13(15)10-16-11(3)4/h11-12H,6-10H2,1-5H3
InChIKeyMCKSGWOGBWXDJO-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.84
Rot. Bonds8

About N-butan-2-yl-N-butyl-2-propan-2-yloxyacetamide

N-butan-2-yl-N-butyl-2-propan-2-yloxyacetamide (PubChem CID 112687224) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-2-propan-2-yloxyacetamide
PubChem CID112687224
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-butan-2-yl-N-butyl-2-propan-2-yloxyacetamide
SMILESCCCCN(C(=O)COC(C)C)C(C)CC
InChIInChI=1S/C13H27NO2/c1-6-8-9-14(12(5)7-2)13(15)10-16-11(3)4/h11-12H,6-10H2,1-5H3
InChIKeyMCKSGWOGBWXDJO-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 78883098
N-butyl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 112687242
5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid
CID 60662142
5-bromo-N-butan-2-yl-N-butylpentanamide
CID 107909392
ethyl 3-[butan-2-yl(butyl)amino]-2,2-difluoro-3-oxopropanoate
CID 112743084
2-bromo-N-butan-2-yl-N-butyl-3-methylbutanamide
CID 60948518
(2R)-2-amino-N-butan-2-yl-N-butyl-3-methylbutanamide
CID 79012967
3-amino-N-butan-2-yl-N-butyl-2-methoxypropanamide
CID 106112047
(2S)-2-amino-N-butan-2-yl-N-butylpentanamide
CID 107568931
N-butan-2-yl-N-butyl-2-methylcyclopropane-1-carboxamide
CID 78858376
2-[[butan-2-yl(butyl)carbamoyl]amino]propanoic acid
CID 55004578
3-amino-N-butan-2-yl-N-butyl-2,2,3-trimethylbutanamide
CID 65269662

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-2-propan-2-yloxyacetamide?
The IUPAC name of N-butan-2-yl-N-butyl-2-propan-2-yloxyacetamide (CID 112687224) is N-butan-2-yl-N-butyl-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-butan-2-yl-N-butyl-2-propan-2-yloxyacetamide?
The canonical SMILES for N-butan-2-yl-N-butyl-2-propan-2-yloxyacetamide is CCCCN(C(=O)COC(C)C)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-2-propan-2-yloxyacetamide?
The InChIKey is MCKSGWOGBWXDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-6-8-9-14(12(5)7-2)13(15)10-16-11(3)4/h11-12H,6-10H2,1-5H3.
What are the key properties of N-butan-2-yl-N-butyl-2-propan-2-yloxyacetamide?
N-butan-2-yl-N-butyl-2-propan-2-yloxyacetamide has a molecular weight of 229.36 g/mol, XLogP of 2.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112687224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).