N-[2-[(tert-butylamino)methyl]phenyl]acetamide

C13H20N2O — CID 66385215

IUPACN-[2-[(tert-butylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNC(C)(C)C
InChIInChI=1S/C13H20N2O/c1-10(16)15-12-8-6-5-7-11(12)9-14-13(2,3)4/h5-8,14H,9H2,1-4H3,(H,15,16)
InChIKeyUVQDQOKAAXNBIS-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.53
Rot. Bonds3

About N-[2-[(tert-butylamino)methyl]phenyl]acetamide

N-[2-[(tert-butylamino)methyl]phenyl]acetamide (PubChem CID 66385215) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[2-[(tert-butylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(tert-butylamino)methyl]phenyl]acetamide
PubChem CID66385215
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[2-[(tert-butylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNC(C)(C)C
InChIInChI=1S/C13H20N2O/c1-10(16)15-12-8-6-5-7-11(12)9-14-13(2,3)4/h5-8,14H,9H2,1-4H3,(H,15,16)
InChIKeyUVQDQOKAAXNBIS-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
N-[2-(2-methylprop-2-enyl)phenyl]acetamide
CID 102600118
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
N-[2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]phenyl]acetamide
CID 103838945
N-[2-[(2,4,5-trichloroanilino)methyl]phenyl]acetamide
CID 66387225
N-[2-[(cyclohexylamino)methyl]phenyl]acetamide
CID 66289861
2-(2-acetamidophenyl)ethanethioic S-acid
CID 21276599
1-tert-butyl-3-[2-(ethylaminomethyl)phenyl]urea
CID 43602424
N-[2-[(3-hydroxyanilino)methyl]phenyl]acetamide
CID 66385038
N-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide
CID 66417086
N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide
CID 154198848

Frequently Asked Questions

What is the IUPAC name of N-[2-[(tert-butylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[2-[(tert-butylamino)methyl]phenyl]acetamide (CID 66385215) is N-[2-[(tert-butylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(tert-butylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(tert-butylamino)methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNC(C)(C)C.
What is the InChIKey of N-[2-[(tert-butylamino)methyl]phenyl]acetamide?
The InChIKey is UVQDQOKAAXNBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(16)15-12-8-6-5-7-11(12)9-14-13(2,3)4/h5-8,14H,9H2,1-4H3,(H,15,16).
What are the key properties of N-[2-[(tert-butylamino)methyl]phenyl]acetamide?
N-[2-[(tert-butylamino)methyl]phenyl]acetamide has a molecular weight of 220.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(tert-butylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 66385215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).