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

C17H26N2O — CID 103106978

IUPACN-ethyl-N-methyl-2-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide
SMILESCCN(C)C(=O)C(C)NC1CC(c2cccc(C)c2)C1
InChIInChI=1S/C17H26N2O/c1-5-19(4)17(20)13(3)18-16-10-15(11-16)14-8-6-7-12(2)9-14/h6-9,13,15-16,18H,5,10-11H2,1-4H3
InChIKeyYGMGEWBPJIXBOJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.70
Rot. Bonds5

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

N-ethyl-N-methyl-2-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide (PubChem CID 103106978) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide
PubChem CID103106978
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-ethyl-N-methyl-2-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide
SMILESCCN(C)C(=O)C(C)NC1CC(c2cccc(C)c2)C1
InChIInChI=1S/C17H26N2O/c1-5-19(4)17(20)13(3)18-16-10-15(11-16)14-8-6-7-12(2)9-14/h6-9,13,15-16,18H,5,10-11H2,1-4H3
InChIKeyYGMGEWBPJIXBOJ-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-methyl-2-[(4-phenylcyclohexyl)amino]propanamide
CID 103107072
2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol
CID 43635472
N-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 63843288
N,N-dimethyl-2-[[3-(3-methylphenyl)cyclobutyl]amino]acetamide
CID 43635313
3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81369233
N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 43635502
ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
CID 61498206
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
3-[[3-(3-methylphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol
CID 104530246
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 81350272
3-(3-methylphenyl)-N-pent-4-en-2-ylcyclobutan-1-amine
CID 104530209

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide?
The IUPAC name of N-ethyl-N-methyl-2-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide (CID 103106978) is N-ethyl-N-methyl-2-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide?
The canonical SMILES for N-ethyl-N-methyl-2-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide is CCN(C)C(=O)C(C)NC1CC(c2cccc(C)c2)C1.
What is the InChIKey of N-ethyl-N-methyl-2-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide?
The InChIKey is YGMGEWBPJIXBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-19(4)17(20)13(3)18-16-10-15(11-16)14-8-6-7-12(2)9-14/h6-9,13,15-16,18H,5,10-11H2,1-4H3.
What are the key properties of N-ethyl-N-methyl-2-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide?
N-ethyl-N-methyl-2-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide has a molecular weight of 274.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide is sourced from PubChem (CID 103106978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).