propane;2,3,3-trimethyl-N-propylbutanamide

C13H29NO — CID 143577775

IUPACpropane;2,3,3-trimethyl-N-propylbutanamide
SMILESCCC.CCCNC(=O)C(C)C(C)(C)C
InChIInChI=1S/C10H21NO.C3H8/c1-6-7-11-9(12)8(2)10(3,4)5;1-3-2/h8H,6-7H2,1-5H3,(H,11,12);3H2,1-2H3
InChIKeyXEPUZQRYPRAETC-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.61
Rot. Bonds3

About propane;2,3,3-trimethyl-N-propylbutanamide

propane;2,3,3-trimethyl-N-propylbutanamide (PubChem CID 143577775) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is propane;2,3,3-trimethyl-N-propylbutanamide.

Molecular Properties

Compound Namepropane;2,3,3-trimethyl-N-propylbutanamide
PubChem CID143577775
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Namepropane;2,3,3-trimethyl-N-propylbutanamide
SMILESCCC.CCCNC(=O)C(C)C(C)(C)C
InChIInChI=1S/C10H21NO.C3H8/c1-6-7-11-9(12)8(2)10(3,4)5;1-3-2/h8H,6-7H2,1-5H3,(H,11,12);3H2,1-2H3
InChIKeyXEPUZQRYPRAETC-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide
CID 143641888
(2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide
CID 143641934
N-[2-(carbamoylamino)ethyl]-2,3,3-trimethylbutanamide;ethane
CID 143855257
benzene;ethane;N-ethyl-2,3,3-trimethylbutanamide
CID 143855700
2-iodo-N-propylpropanamide
CID 64787589
3,3-dimethyl-N-propyl-2-sulfanylbutanamide
CID 143641927
N-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide
CID 143641947
2-tert-butyl-4,4-dimethyl-N-propylpentanamide
CID 121265105
2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871
2,2-dimethyl-N-propan-2-yl-N'-propylpropanediamide
CID 108956970
2,3-dihydroxy-N,N'-dipropylbutanediamide
CID 13226339
2-amino-N-propylpropanamide;ethane
CID 142837247

Frequently Asked Questions

What is the IUPAC name of propane;2,3,3-trimethyl-N-propylbutanamide?
The IUPAC name of propane;2,3,3-trimethyl-N-propylbutanamide (CID 143577775) is propane;2,3,3-trimethyl-N-propylbutanamide.
What is the SMILES notation for propane;2,3,3-trimethyl-N-propylbutanamide?
The canonical SMILES for propane;2,3,3-trimethyl-N-propylbutanamide is CCC.CCCNC(=O)C(C)C(C)(C)C.
What is the InChIKey of propane;2,3,3-trimethyl-N-propylbutanamide?
The InChIKey is XEPUZQRYPRAETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C3H8/c1-6-7-11-9(12)8(2)10(3,4)5;1-3-2/h8H,6-7H2,1-5H3,(H,11,12);3H2,1-2H3.
What are the key properties of propane;2,3,3-trimethyl-N-propylbutanamide?
propane;2,3,3-trimethyl-N-propylbutanamide has a molecular weight of 215.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;2,3,3-trimethyl-N-propylbutanamide is sourced from PubChem (CID 143577775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).