N-butyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N,2-dimethylpropanamide;methane;2-methyl-N-propylpropanamide

C29H64N4O4 — CID 159998145

IUPACN-butyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N,2-dimethylpropanamide;methane;2-methyl-N-propylpropanamide
SMILESC.CC(C)C(=O)NC(C)(C)C.CCCCNC(=O)C(C)C.CCCNC(=O)C(C)C.CNC(=O)C(C)C
InChIInChI=1S/2C8H17NO.C7H15NO.C5H11NO.CH4/c1-6(2)7(10)9-8(3,4)5;1-4-5-6-9-8(10)7(2)3;1-4-5-8-7(9)6(2)3;1-4(2)5(7)6-3;/h6H,1-5H3,(H,9,10);7H,4-6H2,1-3H3,(H,9,10);6H,4-5H2,1-3H3,(H,8,9);4H,1-3H3,(H,6,7);1H4
InChIKeyOHUQNXZODNJINU-UHFFFAOYSA-N
MW532.86 g/mol
LogP5.31
Rot. Bonds9

About N-butyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N,2-dimethylpropanamide;methane;2-methyl-N-propylpropanamide

N-butyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N,2-dimethylpropanamide;methane;2-methyl-N-propylpropanamide (PubChem CID 159998145) has the molecular formula C29H64N4O4 and a molecular weight of 532.86 g/mol. Its IUPAC name is N-butyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N,2-dimethylpropanamide;methane;2-methyl-N-propylpropanamide.

Molecular Properties

Compound NameN-butyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N,2-dimethylpropanamide;methane;2-methyl-N-propylpropanamide
PubChem CID159998145
Molecular FormulaC29H64N4O4
Molecular Weight532.86 g/mol
Exact Mass532.49
IUPAC NameN-butyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N,2-dimethylpropanamide;methane;2-methyl-N-propylpropanamide
SMILESC.CC(C)C(=O)NC(C)(C)C.CCCCNC(=O)C(C)C.CCCNC(=O)C(C)C.CNC(=O)C(C)C
InChIInChI=1S/2C8H17NO.C7H15NO.C5H11NO.CH4/c1-6(2)7(10)9-8(3,4)5;1-4-5-6-9-8(10)7(2)3;1-4-5-8-7(9)6(2)3;1-4(2)5(7)6-3;/h6H,1-5H3,(H,9,10);7H,4-6H2,1-3H3,(H,9,10);6H,4-5H2,1-3H3,(H,8,9);4H,1-3H3,(H,6,7);1H4
InChIKeyOHUQNXZODNJINU-UHFFFAOYSA-N
XLogP5.31
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.86
LogP ≤ 55.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-methylpropanamide;bis(N-ethyl-2-methylpropanamide)
CID 160609422
N-butan-2-yl-2-methylpropanamide;N-butyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N,2-dimethylpropanamide;N-ethyl-2-methylpropanamide;2-methyl-N-(2-methylpropyl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-propan-2-ylpropanamide;2-methyl-N-propylpropanamide
CID 158750570
methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide
CID 159729828
N-tert-butyl-2-methylpropanamide;ethane
CID 143588307
N-tert-butyl-2-(butylcarbamothioylamino)propanamide
CID 116509924
N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-methylpropanamide
CID 167316538
2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
2-methyl-N-(3-methyl-3-propan-2-yloctyl)propanamide
CID 126626622
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
N-butyl-2-silylpropanamide
CID 123860399
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N,2-dimethylpropanamide;methane;2-methyl-N-propylpropanamide?
The IUPAC name of N-butyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N,2-dimethylpropanamide;methane;2-methyl-N-propylpropanamide (CID 159998145) is N-butyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N,2-dimethylpropanamide;methane;2-methyl-N-propylpropanamide.
What is the SMILES notation for N-butyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N,2-dimethylpropanamide;methane;2-methyl-N-propylpropanamide?
The canonical SMILES for N-butyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N,2-dimethylpropanamide;methane;2-methyl-N-propylpropanamide is C.CC(C)C(=O)NC(C)(C)C.CCCCNC(=O)C(C)C.CCCNC(=O)C(C)C.CNC(=O)C(C)C.
What is the InChIKey of N-butyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N,2-dimethylpropanamide;methane;2-methyl-N-propylpropanamide?
The InChIKey is OHUQNXZODNJINU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H17NO.C7H15NO.C5H11NO.CH4/c1-6(2)7(10)9-8(3,4)5;1-4-5-6-9-8(10)7(2)3;1-4-5-8-7(9)6(2)3;1-4(2)5(7)6-3;/h6H,1-5H3,(H,9,10);7H,4-6H2,1-3H3,(H,9,10);6H,4-5H2,1-3H3,(H,8,9);4H,1-3H3,(H,6,7);1H4.
What are the key properties of N-butyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N,2-dimethylpropanamide;methane;2-methyl-N-propylpropanamide?
N-butyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N,2-dimethylpropanamide;methane;2-methyl-N-propylpropanamide has a molecular weight of 532.86 g/mol, XLogP of 5.31, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N,2-dimethylpropanamide;methane;2-methyl-N-propylpropanamide is sourced from PubChem (CID 159998145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).