N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide

C15H24N2O — CID 55102725

IUPACN-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide
SMILESCCNCc1cccc(NC(=O)C(C)(C)CC)c1
InChIInChI=1S/C15H24N2O/c1-5-15(3,4)14(18)17-13-9-7-8-12(10-13)11-16-6-2/h7-10,16H,5-6,11H2,1-4H3,(H,17,18)
InChIKeyPOMGBKMRXSFEDI-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.17
Rot. Bonds6

About N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide

N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide (PubChem CID 55102725) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide
PubChem CID55102725
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide
SMILESCCNCc1cccc(NC(=O)C(C)(C)CC)c1
InChIInChI=1S/C15H24N2O/c1-5-15(3,4)14(18)17-13-9-7-8-12(10-13)11-16-6-2/h7-10,16H,5-6,11H2,1-4H3,(H,17,18)
InChIKeyPOMGBKMRXSFEDI-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 669985
2,2-dimethyl-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide
CID 160938577
N-(3-bromophenyl)-2,2-dimethylbutanamide
CID 670009
3-[[3-(2,2-dimethylbutanoylamino)phenyl]methylsulfanyl]propanoic acid
CID 119240983
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 669889
N-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 61167213
N-[3-(ethylaminomethyl)phenyl]-3-methylbut-2-enamide
CID 43601289
N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
CID 43601133
5-tert-butyl-N-[3-(ethylaminomethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 119438538
N-[3-(ethylaminomethyl)phenyl]-4-methylsulfonylbutanamide
CID 119438658
2-methoxy-2-methyl-N-[3-(methylaminomethyl)phenyl]propanamide
CID 103021373

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide (CID 55102725) is N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide is CCNCc1cccc(NC(=O)C(C)(C)CC)c1.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide?
The InChIKey is POMGBKMRXSFEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-15(3,4)14(18)17-13-9-7-8-12(10-13)11-16-6-2/h7-10,16H,5-6,11H2,1-4H3,(H,17,18).
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide?
N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide has a molecular weight of 248.37 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 55102725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).