N-methyl-N-(3-propan-2-ylcyclobutyl)acetamide;tris(propan-2-ylcyclobutane)

C31H61NO — CID 159886924

IUPACN-methyl-N-(3-propan-2-ylcyclobutyl)acetamide;tris(propan-2-ylcyclobutane)
SMILESCC(=O)N(C)C1CC(C(C)C)C1.CC(C)C1CCC1.CC(C)C1CCC1.CC(C)C1CCC1
InChIInChI=1S/C10H19NO.3C7H14/c1-7(2)9-5-10(6-9)11(4)8(3)12;3*1-6(2)7-4-3-5-7/h7,9-10H,5-6H2,1-4H3;3*6-7H,3-5H2,1-2H3
InChIKeyNUGFQRRBJGAQHF-UHFFFAOYSA-N
MW463.84 g/mol
LogP9.23
Rot. Bonds5

About N-methyl-N-(3-propan-2-ylcyclobutyl)acetamide;tris(propan-2-ylcyclobutane)

N-methyl-N-(3-propan-2-ylcyclobutyl)acetamide;tris(propan-2-ylcyclobutane) (PubChem CID 159886924) has the molecular formula C31H61NO and a molecular weight of 463.84 g/mol. Its IUPAC name is N-methyl-N-(3-propan-2-ylcyclobutyl)acetamide;tris(propan-2-ylcyclobutane).

Molecular Properties

Compound NameN-methyl-N-(3-propan-2-ylcyclobutyl)acetamide;tris(propan-2-ylcyclobutane)
PubChem CID159886924
Molecular FormulaC31H61NO
Molecular Weight463.84 g/mol
Exact Mass463.48
IUPAC NameN-methyl-N-(3-propan-2-ylcyclobutyl)acetamide;tris(propan-2-ylcyclobutane)
SMILESCC(=O)N(C)C1CC(C(C)C)C1.CC(C)C1CCC1.CC(C)C1CCC1.CC(C)C1CCC1
InChIInChI=1S/C10H19NO.3C7H14/c1-7(2)9-5-10(6-9)11(4)8(3)12;3*1-6(2)7-4-3-5-7/h7,9-10H,5-6H2,1-4H3;3*6-7H,3-5H2,1-2H3
InChIKeyNUGFQRRBJGAQHF-UHFFFAOYSA-N
XLogP9.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.84
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-(3-propan-2-ylcyclobutyl)acetamide
CID 129290550
N-methyl-N-[(3S)-3-methylcyclohexyl]acetamide
CID 169132453
2-[2-(dimethylamino)ethyl-(4-propan-2-ylcycloheptyl)amino]acetic acid
CID 107426098
N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N-(4-propan-2-ylcyclohexyl)acetamide;tris(1-methyl-4-propan-2-ylpiperidine);1,1,3-trimethyl-3-(4-propan-2-ylcyclohexyl)urea
CID 159988033
N-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide
CID 140577346
ethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide
CID 155739583
N-(3-propan-2-ylcyclobutyl)acetamide
CID 59410589
(2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide
CID 70337102
N-methyl-N-(4-methylphosphanylcyclohexyl)acetamide
CID 70909497
2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
4-[acetyl(methyl)amino]piperidine-1-carboxylic acid
CID 68806542
N-(4-hydroxy-4-methylcyclohexyl)-N-methylacetamide
CID 167220472

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-propan-2-ylcyclobutyl)acetamide;tris(propan-2-ylcyclobutane)?
The IUPAC name of N-methyl-N-(3-propan-2-ylcyclobutyl)acetamide;tris(propan-2-ylcyclobutane) (CID 159886924) is N-methyl-N-(3-propan-2-ylcyclobutyl)acetamide;tris(propan-2-ylcyclobutane).
What is the SMILES notation for N-methyl-N-(3-propan-2-ylcyclobutyl)acetamide;tris(propan-2-ylcyclobutane)?
The canonical SMILES for N-methyl-N-(3-propan-2-ylcyclobutyl)acetamide;tris(propan-2-ylcyclobutane) is CC(=O)N(C)C1CC(C(C)C)C1.CC(C)C1CCC1.CC(C)C1CCC1.CC(C)C1CCC1.
What is the InChIKey of N-methyl-N-(3-propan-2-ylcyclobutyl)acetamide;tris(propan-2-ylcyclobutane)?
The InChIKey is NUGFQRRBJGAQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.3C7H14/c1-7(2)9-5-10(6-9)11(4)8(3)12;3*1-6(2)7-4-3-5-7/h7,9-10H,5-6H2,1-4H3;3*6-7H,3-5H2,1-2H3.
What are the key properties of N-methyl-N-(3-propan-2-ylcyclobutyl)acetamide;tris(propan-2-ylcyclobutane)?
N-methyl-N-(3-propan-2-ylcyclobutyl)acetamide;tris(propan-2-ylcyclobutane) has a molecular weight of 463.84 g/mol, XLogP of 9.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-propan-2-ylcyclobutyl)acetamide;tris(propan-2-ylcyclobutane) is sourced from PubChem (CID 159886924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).