N-benzyl-N-methylacetamide;ethylbenzene;N-methyl-1-phenylmethanamine

C26H34N2O — CID 160808532

IUPACN-benzyl-N-methylacetamide;ethylbenzene;N-methyl-1-phenylmethanamine
SMILESCC(=O)N(C)Cc1ccccc1.CCc1ccccc1.CNCc1ccccc1
InChIInChI=1S/C10H13NO.C8H11N.C8H10/c1-9(12)11(2)8-10-6-4-3-5-7-10;1-9-7-8-5-3-2-4-6-8;1-2-8-6-4-3-5-7-8/h3-7H,8H2,1-2H3;2-6,9H,7H2,1H3;3-7H,2H2,1H3
InChIKeySDZZTBITPMVIHT-UHFFFAOYSA-N
MW390.57 g/mol
LogP5.32
Rot. Bonds5

About N-benzyl-N-methylacetamide;ethylbenzene;N-methyl-1-phenylmethanamine

N-benzyl-N-methylacetamide;ethylbenzene;N-methyl-1-phenylmethanamine (PubChem CID 160808532) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is N-benzyl-N-methylacetamide;ethylbenzene;N-methyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-methylacetamide;ethylbenzene;N-methyl-1-phenylmethanamine
PubChem CID160808532
Molecular FormulaC26H34N2O
Molecular Weight390.57 g/mol
Exact Mass390.27
IUPAC NameN-benzyl-N-methylacetamide;ethylbenzene;N-methyl-1-phenylmethanamine
SMILESCC(=O)N(C)Cc1ccccc1.CCc1ccccc1.CNCc1ccccc1
InChIInChI=1S/C10H13NO.C8H11N.C8H10/c1-9(12)11(2)8-10-6-4-3-5-7-10;1-9-7-8-5-3-2-4-6-8;1-2-8-6-4-3-5-7-8/h3-7H,8H2,1-2H3;2-6,9H,7H2,1H3;3-7H,2H2,1H3
InChIKeySDZZTBITPMVIHT-UHFFFAOYSA-N
XLogP5.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 167666361
N-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide
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N-benzyl-N-methylethanamine;N-methyl-1-phenylmethanamine
CID 142094869
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CID 2392235
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borane;N-methyl-1-phenylmethanamine
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N-methyl-1-phenylmethanamine;hydrate;hydrochloride
CID 174315758
(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119266895
(E)-but-2-enoic acid;N-methyl-1-phenylmethanamine
CID 171506749
acetic acid;ethane;ethylbenzene;methane
CID 159768897
N-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide
CID 71063617
N-benzyl-N,2-dimethyl-2-(methylamino)propanamide
CID 62834859

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methylacetamide;ethylbenzene;N-methyl-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-methylacetamide;ethylbenzene;N-methyl-1-phenylmethanamine (CID 160808532) is N-benzyl-N-methylacetamide;ethylbenzene;N-methyl-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-methylacetamide;ethylbenzene;N-methyl-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-methylacetamide;ethylbenzene;N-methyl-1-phenylmethanamine is CC(=O)N(C)Cc1ccccc1.CCc1ccccc1.CNCc1ccccc1.
What is the InChIKey of N-benzyl-N-methylacetamide;ethylbenzene;N-methyl-1-phenylmethanamine?
The InChIKey is SDZZTBITPMVIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C8H11N.C8H10/c1-9(12)11(2)8-10-6-4-3-5-7-10;1-9-7-8-5-3-2-4-6-8;1-2-8-6-4-3-5-7-8/h3-7H,8H2,1-2H3;2-6,9H,7H2,1H3;3-7H,2H2,1H3.
What are the key properties of N-benzyl-N-methylacetamide;ethylbenzene;N-methyl-1-phenylmethanamine?
N-benzyl-N-methylacetamide;ethylbenzene;N-methyl-1-phenylmethanamine has a molecular weight of 390.57 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methylacetamide;ethylbenzene;N-methyl-1-phenylmethanamine is sourced from PubChem (CID 160808532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).