N-tert-butyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]acetamide

C17H26N2O — CID 115355956

IUPACN-tert-butyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]acetamide
SMILESCc1ccccc1C1CC(NCC(=O)NC(C)(C)C)C1
InChIInChI=1S/C17H26N2O/c1-12-7-5-6-8-15(12)13-9-14(10-13)18-11-16(20)19-17(2,3)4/h5-8,13-14,18H,9-11H2,1-4H3,(H,19,20)
InChIKeyQIRXOAVOOATHGN-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.75
Rot. Bonds4

About N-tert-butyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]acetamide

N-tert-butyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]acetamide (PubChem CID 115355956) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-tert-butyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]acetamide
PubChem CID115355956
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-tert-butyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]acetamide
SMILESCc1ccccc1C1CC(NCC(=O)NC(C)(C)C)C1
InChIInChI=1S/C17H26N2O/c1-12-7-5-6-8-15(12)13-9-14(10-13)18-11-16(20)19-17(2,3)4/h5-8,13-14,18H,9-11H2,1-4H3,(H,19,20)
InChIKeyQIRXOAVOOATHGN-UHFFFAOYSA-N
XLogP2.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(2-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide
CID 115356113
N-tert-butyl-2-[(3-phenylcyclobutyl)amino]acetamide
CID 115356209
N-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634648
2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide
CID 115355958
N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 113384097
2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43634045
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine;2,2,2-trifluoroacetic acid
CID 175794662
4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol
CID 106841126
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
2-[3-amino-5-(2-methylphenyl)-2-oxo-7-phenylazepan-1-yl]-N-tert-butylacetamide
CID 15908914
3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632528
3-(2-methylphenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine
CID 103529593

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]acetamide (CID 115355956) is N-tert-butyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]acetamide is Cc1ccccc1C1CC(NCC(=O)NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]acetamide?
The InChIKey is QIRXOAVOOATHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-7-5-6-8-15(12)13-9-14(10-13)18-11-16(20)19-17(2,3)4/h5-8,13-14,18H,9-11H2,1-4H3,(H,19,20).
What are the key properties of N-tert-butyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]acetamide?
N-tert-butyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]acetamide has a molecular weight of 274.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]acetamide is sourced from PubChem (CID 115355956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).