N-[[2-(dimethylamino)phenyl]methyl]-2-methylpropanamide

C13H20N2O — CID 110470326

IUPACN-[[2-(dimethylamino)phenyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccccc1N(C)C
InChIInChI=1S/C13H20N2O/c1-10(2)13(16)14-9-11-7-5-6-8-12(11)15(3)4/h5-8,10H,9H2,1-4H3,(H,14,16)
InChIKeyJONMJKVLLKABDM-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.02
Rot. Bonds4

About N-[[2-(dimethylamino)phenyl]methyl]-2-methylpropanamide

N-[[2-(dimethylamino)phenyl]methyl]-2-methylpropanamide (PubChem CID 110470326) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[[2-(dimethylamino)phenyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)phenyl]methyl]-2-methylpropanamide
PubChem CID110470326
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[[2-(dimethylamino)phenyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccccc1N(C)C
InChIInChI=1S/C13H20N2O/c1-10(2)13(16)14-9-11-7-5-6-8-12(11)15(3)4/h5-8,10H,9H2,1-4H3,(H,14,16)
InChIKeyJONMJKVLLKABDM-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(dimethylamino)phenyl]methyl]pyridine-4-carboxamide
CID 110471313
N-[(2-ethylphenyl)methyl]-2-methylpropanamide
CID 64694185
N-[[2-(dimethylamino)phenyl]methyl]hydroxylamine
CID 82597179
N-[[2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide
CID 110471616
N-benzyl-2-methylpropanamide;methane
CID 160760567
3-amino-N-[[2-(dimethylamino)phenyl]methyl]benzamide
CID 110474429
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
(2R)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 97209190
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide
CID 82109945
2-methyl-N-[(3-methylquinoxalin-2-yl)methyl]propanamide
CID 110869651
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-2-methylpropanamide
CID 54966873

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)phenyl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[2-(dimethylamino)phenyl]methyl]-2-methylpropanamide (CID 110470326) is N-[[2-(dimethylamino)phenyl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[2-(dimethylamino)phenyl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[2-(dimethylamino)phenyl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1ccccc1N(C)C.
What is the InChIKey of N-[[2-(dimethylamino)phenyl]methyl]-2-methylpropanamide?
The InChIKey is JONMJKVLLKABDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)13(16)14-9-11-7-5-6-8-12(11)15(3)4/h5-8,10H,9H2,1-4H3,(H,14,16).
What are the key properties of N-[[2-(dimethylamino)phenyl]methyl]-2-methylpropanamide?
N-[[2-(dimethylamino)phenyl]methyl]-2-methylpropanamide has a molecular weight of 220.32 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)phenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 110470326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).