methane;3-methyl-N-(3-methylbutan-2-yl)butanamide;3-methyl-N-propylbutanamide

C21H50N2O2 — CID 162025713

IUPACmethane;3-methyl-N-(3-methylbutan-2-yl)butanamide;3-methyl-N-propylbutanamide
SMILESC.C.C.CC(C)CC(=O)NC(C)C(C)C.CCCNC(=O)CC(C)C
InChIInChI=1S/C10H21NO.C8H17NO.3CH4/c1-7(2)6-10(12)11-9(5)8(3)4;1-4-5-9-8(10)6-7(2)3;;;/h7-9H,6H2,1-5H3,(H,11,12);7H,4-6H2,1-3H3,(H,9,10);3*1H4
InChIKeyYVIMWAXWWHDTAL-UHFFFAOYSA-N
MW362.64 g/mol
LogP5.66
Rot. Bonds8

About methane;3-methyl-N-(3-methylbutan-2-yl)butanamide;3-methyl-N-propylbutanamide

methane;3-methyl-N-(3-methylbutan-2-yl)butanamide;3-methyl-N-propylbutanamide (PubChem CID 162025713) has the molecular formula C21H50N2O2 and a molecular weight of 362.64 g/mol. Its IUPAC name is methane;3-methyl-N-(3-methylbutan-2-yl)butanamide;3-methyl-N-propylbutanamide.

Molecular Properties

Compound Namemethane;3-methyl-N-(3-methylbutan-2-yl)butanamide;3-methyl-N-propylbutanamide
PubChem CID162025713
Molecular FormulaC21H50N2O2
Molecular Weight362.64 g/mol
Exact Mass362.39
IUPAC Namemethane;3-methyl-N-(3-methylbutan-2-yl)butanamide;3-methyl-N-propylbutanamide
SMILESC.C.C.CC(C)CC(=O)NC(C)C(C)C.CCCNC(=O)CC(C)C
InChIInChI=1S/C10H21NO.C8H17NO.3CH4/c1-7(2)6-10(12)11-9(5)8(3)4;1-4-5-9-8(10)6-7(2)3;;;/h7-9H,6H2,1-5H3,(H,11,12);7H,4-6H2,1-3H3,(H,9,10);3*1H4
InChIKeyYVIMWAXWWHDTAL-UHFFFAOYSA-N
XLogP5.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.64
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylbutan-2-ylcarbamoylamino)-N-propylpropanamide
CID 60547146
3,4-dimethyl-N-propylpentanamide
CID 89425193
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
N-[2-(butanoylamino)ethyl]-3-methylbutanamide
CID 108570913
2-(3-methylbutan-2-ylamino)-N-propylacetamide
CID 43086366
N-[2-(3-methylbutanoylamino)ethyl]dodecanamide
CID 90261922
(3R)-3-hydroxy-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 89065731
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483
3-methyl-N-propylhexanamide
CID 143315126
3,4-diamino-N-propylbutanamide
CID 66426337
ethane;3-methyl-N-nonylbutanamide;prop-1-ene
CID 170638874
4,4,4-trifluoro-3-methyl-N-propylbutanamide
CID 162623070

Frequently Asked Questions

What is the IUPAC name of methane;3-methyl-N-(3-methylbutan-2-yl)butanamide;3-methyl-N-propylbutanamide?
The IUPAC name of methane;3-methyl-N-(3-methylbutan-2-yl)butanamide;3-methyl-N-propylbutanamide (CID 162025713) is methane;3-methyl-N-(3-methylbutan-2-yl)butanamide;3-methyl-N-propylbutanamide.
What is the SMILES notation for methane;3-methyl-N-(3-methylbutan-2-yl)butanamide;3-methyl-N-propylbutanamide?
The canonical SMILES for methane;3-methyl-N-(3-methylbutan-2-yl)butanamide;3-methyl-N-propylbutanamide is C.C.C.CC(C)CC(=O)NC(C)C(C)C.CCCNC(=O)CC(C)C.
What is the InChIKey of methane;3-methyl-N-(3-methylbutan-2-yl)butanamide;3-methyl-N-propylbutanamide?
The InChIKey is YVIMWAXWWHDTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C8H17NO.3CH4/c1-7(2)6-10(12)11-9(5)8(3)4;1-4-5-9-8(10)6-7(2)3;;;/h7-9H,6H2,1-5H3,(H,11,12);7H,4-6H2,1-3H3,(H,9,10);3*1H4.
What are the key properties of methane;3-methyl-N-(3-methylbutan-2-yl)butanamide;3-methyl-N-propylbutanamide?
methane;3-methyl-N-(3-methylbutan-2-yl)butanamide;3-methyl-N-propylbutanamide has a molecular weight of 362.64 g/mol, XLogP of 5.66, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methyl-N-(3-methylbutan-2-yl)butanamide;3-methyl-N-propylbutanamide is sourced from PubChem (CID 162025713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).