N-(3-tert-butylcyclobutyl)acetamide;3-tert-butyl-N-methylcyclobutane-1-carboxamide;ethane;bis(3-methylcyclobutan-1-ol);bis(4-(3-methylcyclobutyl)morpholine);bis(1-methyl-4-(3-methylcyclobutyl)piperazine)

C80H168N8O6 — CID 160749458

IUPACN-(3-tert-butylcyclobutyl)acetamide;3-tert-butyl-N-methylcyclobutane-1-carboxamide;ethane;bis(3-methylcyclobutan-1-ol);bis(4-(3-methylcyclobutyl)morpholine);bis(1-methyl-4-(3-methylcyclobutyl)piperazine)
SMILESCC.CC.CC.CC.CC.CC.CC(=O)NC1CC(C(C)(C)C)C1.CC1CC(N2CCN(C)CC2)C1.CC1CC(N2CCN(C)CC2)C1.CC1CC(N2CCOCC2)C1.CC1CC(N2CCOCC2)C1.CC1CC(O)C1.CC1CC(O)C1.CNC(=O)C1CC(C(C)(C)C)C1
InChIInChI=1S/2C10H20N2.2C10H19NO.2C9H17NO.2C5H10O.6C2H6/c2*1-9-7-10(8-9)12-5-3-11(2)4-6-12;1-10(2,3)8-5-7(6-8)9(12)11-4;1-7(12)11-9-5-8(6-9)10(2,3)4;2*1-8-6-9(7-8)10-2-4-11-5-3-10;2*1-4-2-5(6)3-4;6*1-2/h2*9-10H,3-8H2,1-2H3;7-8H,5-6H2,1-4H3,(H,11,12);8-9H,5-6H2,1-4H3,(H,11,12);2*8-9H,2-7H2,1H3;2*4-6H,2-3H2,1H3;6*1-2H3
InChIKeyRWPWWCGECIHYAA-UHFFFAOYSA-N
MW1338.27 g/mol
LogP15.76
Rot. Bonds6

About N-(3-tert-butylcyclobutyl)acetamide;3-tert-butyl-N-methylcyclobutane-1-carboxamide;ethane;bis(3-methylcyclobutan-1-ol);bis(4-(3-methylcyclobutyl)morpholine);bis(1-methyl-4-(3-methylcyclobutyl)piperazine)

N-(3-tert-butylcyclobutyl)acetamide;3-tert-butyl-N-methylcyclobutane-1-carboxamide;ethane;bis(3-methylcyclobutan-1-ol);bis(4-(3-methylcyclobutyl)morpholine);bis(1-methyl-4-(3-methylcyclobutyl)piperazine) (PubChem CID 160749458) has the molecular formula C80H168N8O6 and a molecular weight of 1338.27 g/mol. Its IUPAC name is N-(3-tert-butylcyclobutyl)acetamide;3-tert-butyl-N-methylcyclobutane-1-carboxamide;ethane;bis(3-methylcyclobutan-1-ol);bis(4-(3-methylcyclobutyl)morpholine);bis(1-methyl-4-(3-methylcyclobutyl)piperazine).

Molecular Properties

Compound NameN-(3-tert-butylcyclobutyl)acetamide;3-tert-butyl-N-methylcyclobutane-1-carboxamide;ethane;bis(3-methylcyclobutan-1-ol);bis(4-(3-methylcyclobutyl)morpholine);bis(1-methyl-4-(3-methylcyclobutyl)piperazine)
PubChem CID160749458
Molecular FormulaC80H168N8O6
Molecular Weight1338.27 g/mol
Exact Mass1337.31
IUPAC NameN-(3-tert-butylcyclobutyl)acetamide;3-tert-butyl-N-methylcyclobutane-1-carboxamide;ethane;bis(3-methylcyclobutan-1-ol);bis(4-(3-methylcyclobutyl)morpholine);bis(1-methyl-4-(3-methylcyclobutyl)piperazine)
SMILESCC.CC.CC.CC.CC.CC.CC(=O)NC1CC(C(C)(C)C)C1.CC1CC(N2CCN(C)CC2)C1.CC1CC(N2CCN(C)CC2)C1.CC1CC(N2CCOCC2)C1.CC1CC(N2CCOCC2)C1.CC1CC(O)C1.CC1CC(O)C1.CNC(=O)C1CC(C(C)(C)C)C1
InChIInChI=1S/2C10H20N2.2C10H19NO.2C9H17NO.2C5H10O.6C2H6/c2*1-9-7-10(8-9)12-5-3-11(2)4-6-12;1-10(2,3)8-5-7(6-8)9(12)11-4;1-7(12)11-9-5-8(6-9)10(2,3)4;2*1-8-6-9(7-8)10-2-4-11-5-3-10;2*1-4-2-5(6)3-4;6*1-2/h2*9-10H,3-8H2,1-2H3;7-8H,5-6H2,1-4H3,(H,11,12);8-9H,5-6H2,1-4H3,(H,11,12);2*8-9H,2-7H2,1H3;2*4-6H,2-3H2,1H3;6*1-2H3
InChIKeyRWPWWCGECIHYAA-UHFFFAOYSA-N
XLogP15.76
TPSA136.56 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001338.27
LogP ≤ 515.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylcyclobutyl)acetamide;3-tert-butyl-N-methylcyclobutane-1-carboxamide;ethane;bis(3-methylcyclobutan-1-ol);bis(4-(3-methylcyclobutyl)morpholine);bis(1-methyl-4-(3-methylcyclobutyl)piperazine)?
The IUPAC name of N-(3-tert-butylcyclobutyl)acetamide;3-tert-butyl-N-methylcyclobutane-1-carboxamide;ethane;bis(3-methylcyclobutan-1-ol);bis(4-(3-methylcyclobutyl)morpholine);bis(1-methyl-4-(3-methylcyclobutyl)piperazine) (CID 160749458) is N-(3-tert-butylcyclobutyl)acetamide;3-tert-butyl-N-methylcyclobutane-1-carboxamide;ethane;bis(3-methylcyclobutan-1-ol);bis(4-(3-methylcyclobutyl)morpholine);bis(1-methyl-4-(3-methylcyclobutyl)piperazine).
What is the SMILES notation for N-(3-tert-butylcyclobutyl)acetamide;3-tert-butyl-N-methylcyclobutane-1-carboxamide;ethane;bis(3-methylcyclobutan-1-ol);bis(4-(3-methylcyclobutyl)morpholine);bis(1-methyl-4-(3-methylcyclobutyl)piperazine)?
The canonical SMILES for N-(3-tert-butylcyclobutyl)acetamide;3-tert-butyl-N-methylcyclobutane-1-carboxamide;ethane;bis(3-methylcyclobutan-1-ol);bis(4-(3-methylcyclobutyl)morpholine);bis(1-methyl-4-(3-methylcyclobutyl)piperazine) is CC.CC.CC.CC.CC.CC.CC(=O)NC1CC(C(C)(C)C)C1.CC1CC(N2CCN(C)CC2)C1.CC1CC(N2CCN(C)CC2)C1.CC1CC(N2CCOCC2)C1.CC1CC(N2CCOCC2)C1.CC1CC(O)C1.CC1CC(O)C1.CNC(=O)C1CC(C(C)(C)C)C1.
What is the InChIKey of N-(3-tert-butylcyclobutyl)acetamide;3-tert-butyl-N-methylcyclobutane-1-carboxamide;ethane;bis(3-methylcyclobutan-1-ol);bis(4-(3-methylcyclobutyl)morpholine);bis(1-methyl-4-(3-methylcyclobutyl)piperazine)?
The InChIKey is RWPWWCGECIHYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20N2.2C10H19NO.2C9H17NO.2C5H10O.6C2H6/c2*1-9-7-10(8-9)12-5-3-11(2)4-6-12;1-10(2,3)8-5-7(6-8)9(12)11-4;1-7(12)11-9-5-8(6-9)10(2,3)4;2*1-8-6-9(7-8)10-2-4-11-5-3-10;2*1-4-2-5(6)3-4;6*1-2/h2*9-10H,3-8H2,1-2H3;7-8H,5-6H2,1-4H3,(H,11,12);8-9H,5-6H2,1-4H3,(H,11,12);2*8-9H,2-7H2,1H3;2*4-6H,2-3H2,1H3;6*1-2H3.
What are the key properties of N-(3-tert-butylcyclobutyl)acetamide;3-tert-butyl-N-methylcyclobutane-1-carboxamide;ethane;bis(3-methylcyclobutan-1-ol);bis(4-(3-methylcyclobutyl)morpholine);bis(1-methyl-4-(3-methylcyclobutyl)piperazine)?
N-(3-tert-butylcyclobutyl)acetamide;3-tert-butyl-N-methylcyclobutane-1-carboxamide;ethane;bis(3-methylcyclobutan-1-ol);bis(4-(3-methylcyclobutyl)morpholine);bis(1-methyl-4-(3-methylcyclobutyl)piperazine) has a molecular weight of 1338.27 g/mol, XLogP of 15.76, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylcyclobutyl)acetamide;3-tert-butyl-N-methylcyclobutane-1-carboxamide;ethane;bis(3-methylcyclobutan-1-ol);bis(4-(3-methylcyclobutyl)morpholine);bis(1-methyl-4-(3-methylcyclobutyl)piperazine) is sourced from PubChem (CID 160749458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).