N-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide

C14H20N2O2 — CID 20593123

IUPACN-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccc(CN(C)C(C)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-11(17)15(3)9-13-5-7-14(8-6-13)10-16(4)12(2)18/h5-8H,9-10H2,1-4H3
InChIKeyOOCGTUVZUDPQBN-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.64
Rot. Bonds4

About N-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide

N-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide (PubChem CID 20593123) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide
PubChem CID20593123
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccc(CN(C)C(C)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-11(17)15(3)9-13-5-7-14(8-6-13)10-16(4)12(2)18/h5-8H,9-10H2,1-4H3
InChIKeyOOCGTUVZUDPQBN-UHFFFAOYSA-N
XLogP1.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
4-[4-[[acetyl(methyl)amino]methyl]phenyl]-4-oxobutanoic acid
CID 142898116
N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 90694637
N-[(3-acetyl-4-hydroxyphenyl)methyl]-N-methylacetamide
CID 19045459
[4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid
CID 170154871
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
N-[(2,6-dichloro-4-pyridinyl)methyl]-N-methylacetamide
CID 142740811
N-benzyl-N-methylacetamide;ethylbenzene;N-methyl-1-phenylmethanamine
CID 160808532
N-[(2,6-difluorophenyl)methyl]-N-methylacetamide
CID 166206862
N-[(4-ethylphenyl)methyl]-N-methylcarbamoyl bromide
CID 115193695
N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 60630863

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide?
The IUPAC name of N-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide (CID 20593123) is N-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1ccc(CN(C)C(C)=O)cc1.
What is the InChIKey of N-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide?
The InChIKey is OOCGTUVZUDPQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(17)15(3)9-13-5-7-14(8-6-13)10-16(4)12(2)18/h5-8H,9-10H2,1-4H3.
What are the key properties of N-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide?
N-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 20593123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).