N-tert-butyl-N,2-dimethylpropanamide;N,2-dimethyl-N-propan-2-ylpropanamide;N-ethyl-N,2-dimethylpropanamide;N,N,2-trimethylpropanamide

C30H64N4O4 — CID 167540884

IUPACN-tert-butyl-N,2-dimethylpropanamide;N,2-dimethyl-N-propan-2-ylpropanamide;N-ethyl-N,2-dimethylpropanamide;N,N,2-trimethylpropanamide
SMILESCC(C)C(=O)N(C)C.CC(C)C(=O)N(C)C(C)(C)C.CC(C)C(=O)N(C)C(C)C.CCN(C)C(=O)C(C)C
InChIInChI=1S/C9H19NO.C8H17NO.C7H15NO.C6H13NO/c1-7(2)8(11)10(6)9(3,4)5;1-6(2)8(10)9(5)7(3)4;1-5-8(4)7(9)6(2)3;1-5(2)6(8)7(3)4/h7H,1-6H3;6-7H,1-5H3;6H,5H2,1-4H3;5H,1-4H3
InChIKeyBEEBETYLFYHZLF-UHFFFAOYSA-N
MW544.87 g/mol
LogP5.26
Rot. Bonds6

About N-tert-butyl-N,2-dimethylpropanamide;N,2-dimethyl-N-propan-2-ylpropanamide;N-ethyl-N,2-dimethylpropanamide;N,N,2-trimethylpropanamide

N-tert-butyl-N,2-dimethylpropanamide;N,2-dimethyl-N-propan-2-ylpropanamide;N-ethyl-N,2-dimethylpropanamide;N,N,2-trimethylpropanamide (PubChem CID 167540884) has the molecular formula C30H64N4O4 and a molecular weight of 544.87 g/mol. Its IUPAC name is N-tert-butyl-N,2-dimethylpropanamide;N,2-dimethyl-N-propan-2-ylpropanamide;N-ethyl-N,2-dimethylpropanamide;N,N,2-trimethylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-N,2-dimethylpropanamide;N,2-dimethyl-N-propan-2-ylpropanamide;N-ethyl-N,2-dimethylpropanamide;N,N,2-trimethylpropanamide
PubChem CID167540884
Molecular FormulaC30H64N4O4
Molecular Weight544.87 g/mol
Exact Mass544.49
IUPAC NameN-tert-butyl-N,2-dimethylpropanamide;N,2-dimethyl-N-propan-2-ylpropanamide;N-ethyl-N,2-dimethylpropanamide;N,N,2-trimethylpropanamide
SMILESCC(C)C(=O)N(C)C.CC(C)C(=O)N(C)C(C)(C)C.CC(C)C(=O)N(C)C(C)C.CCN(C)C(=O)C(C)C
InChIInChI=1S/C9H19NO.C8H17NO.C7H15NO.C6H13NO/c1-7(2)8(11)10(6)9(3,4)5;1-6(2)8(10)9(5)7(3)4;1-5-8(4)7(9)6(2)3;1-5(2)6(8)7(3)4/h7H,1-6H3;6-7H,1-5H3;6H,5H2,1-4H3;5H,1-4H3
InChIKeyBEEBETYLFYHZLF-UHFFFAOYSA-N
XLogP5.26
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.87
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-N-propan-2-ylpropanamide;N,2,3-trimethyl-N-propan-2-ylbutan-2-amine
CID 159310191
N-ethyl-N,2-dimethylpropanamide;N-ethyl-N-methylpropan-2-amine;2-methoxypropane;2-methylbutane;methyl 2-methylpropanoate;N-methyl-N-propan-2-ylpropan-2-amine;N,N,2-trimethylpropanamide
CID 159816249
N,N',2-trimethyl-N,N'-di(propan-2-yl)propanediamide
CID 174342776
2-bromo-N-tert-butyl-N-methylpropanamide
CID 15829371
N-ethyl-N,2-dimethylbutanamide
CID 89343843
1,1-diethyl-3-methyl-3-propan-2-ylurea
CID 89002923
(2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide
CID 61154665
N-ethyl-2-[(3-hydroxy-3-methylbutyl)amino]-N-methylpropanamide
CID 103108355
N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]propanamide
CID 153298886
N-ethyl-N,2-dimethyl-3-oxobutanamide
CID 18683063
N-(1-chloropropan-2-yl)-N,2-dimethylpropanamide
CID 104555861
2-[[2-(dimethylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide
CID 103108801

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N,2-dimethylpropanamide;N,2-dimethyl-N-propan-2-ylpropanamide;N-ethyl-N,2-dimethylpropanamide;N,N,2-trimethylpropanamide?
The IUPAC name of N-tert-butyl-N,2-dimethylpropanamide;N,2-dimethyl-N-propan-2-ylpropanamide;N-ethyl-N,2-dimethylpropanamide;N,N,2-trimethylpropanamide (CID 167540884) is N-tert-butyl-N,2-dimethylpropanamide;N,2-dimethyl-N-propan-2-ylpropanamide;N-ethyl-N,2-dimethylpropanamide;N,N,2-trimethylpropanamide.
What is the SMILES notation for N-tert-butyl-N,2-dimethylpropanamide;N,2-dimethyl-N-propan-2-ylpropanamide;N-ethyl-N,2-dimethylpropanamide;N,N,2-trimethylpropanamide?
The canonical SMILES for N-tert-butyl-N,2-dimethylpropanamide;N,2-dimethyl-N-propan-2-ylpropanamide;N-ethyl-N,2-dimethylpropanamide;N,N,2-trimethylpropanamide is CC(C)C(=O)N(C)C.CC(C)C(=O)N(C)C(C)(C)C.CC(C)C(=O)N(C)C(C)C.CCN(C)C(=O)C(C)C.
What is the InChIKey of N-tert-butyl-N,2-dimethylpropanamide;N,2-dimethyl-N-propan-2-ylpropanamide;N-ethyl-N,2-dimethylpropanamide;N,N,2-trimethylpropanamide?
The InChIKey is BEEBETYLFYHZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C8H17NO.C7H15NO.C6H13NO/c1-7(2)8(11)10(6)9(3,4)5;1-6(2)8(10)9(5)7(3)4;1-5-8(4)7(9)6(2)3;1-5(2)6(8)7(3)4/h7H,1-6H3;6-7H,1-5H3;6H,5H2,1-4H3;5H,1-4H3.
What are the key properties of N-tert-butyl-N,2-dimethylpropanamide;N,2-dimethyl-N-propan-2-ylpropanamide;N-ethyl-N,2-dimethylpropanamide;N,N,2-trimethylpropanamide?
N-tert-butyl-N,2-dimethylpropanamide;N,2-dimethyl-N-propan-2-ylpropanamide;N-ethyl-N,2-dimethylpropanamide;N,N,2-trimethylpropanamide has a molecular weight of 544.87 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N,2-dimethylpropanamide;N,2-dimethyl-N-propan-2-ylpropanamide;N-ethyl-N,2-dimethylpropanamide;N,N,2-trimethylpropanamide is sourced from PubChem (CID 167540884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).