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

C15H22N2O — CID 43634648

IUPACN-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide
SMILESCC(=O)NCCNC1CC(c2ccccc2C)C1
InChIInChI=1S/C15H22N2O/c1-11-5-3-4-6-15(11)13-9-14(10-13)17-8-7-16-12(2)18/h3-6,13-14,17H,7-10H2,1-2H3,(H,16,18)
InChIKeyRIRRMSXPEVWRRA-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.97
Rot. Bonds5

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

N-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide (PubChem CID 43634648) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide
PubChem CID43634648
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide
SMILESCC(=O)NCCNC1CC(c2ccccc2C)C1
InChIInChI=1S/C15H22N2O/c1-11-5-3-4-6-15(11)13-9-14(10-13)17-8-7-16-12(2)18/h3-6,13-14,17H,7-10H2,1-2H3,(H,16,18)
InChIKeyRIRRMSXPEVWRRA-UHFFFAOYSA-N
XLogP1.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-phenylcyclobutyl)amino]ethyl]acetamide
CID 43632255
4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol
CID 106841126
N'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine
CID 60896174
N-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 54914303
N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634549
N-tert-butyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]acetamide
CID 115355956
N-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634729
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632528
N-[2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]acetamide
CID 43206104
N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634641
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 107094222

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide (CID 43634648) is N-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide is CC(=O)NCCNC1CC(c2ccccc2C)C1.
What is the InChIKey of N-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide?
The InChIKey is RIRRMSXPEVWRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-5-3-4-6-15(11)13-9-14(10-13)17-8-7-16-12(2)18/h3-6,13-14,17H,7-10H2,1-2H3,(H,16,18).
What are the key properties of N-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide?
N-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide has a molecular weight of 246.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide is sourced from PubChem (CID 43634648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).