N-[[4-(N-ethylanilino)phenyl]methyl]-2-(methylamino)acetamide

C18H23N3O — CID 119805514

IUPACN-[[4-(N-ethylanilino)phenyl]methyl]-2-(methylamino)acetamide
SMILESCCN(c1ccccc1)c1ccc(CNC(=O)CNC)cc1
InChIInChI=1S/C18H23N3O/c1-3-21(16-7-5-4-6-8-16)17-11-9-15(10-12-17)13-20-18(22)14-19-2/h4-12,19H,3,13-14H2,1-2H3,(H,20,22)
InChIKeyMIXVWVAXTHVIOE-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.68
Rot. Bonds7

About N-[[4-(N-ethylanilino)phenyl]methyl]-2-(methylamino)acetamide

N-[[4-(N-ethylanilino)phenyl]methyl]-2-(methylamino)acetamide (PubChem CID 119805514) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[[4-(N-ethylanilino)phenyl]methyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[[4-(N-ethylanilino)phenyl]methyl]-2-(methylamino)acetamide
PubChem CID119805514
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[[4-(N-ethylanilino)phenyl]methyl]-2-(methylamino)acetamide
SMILESCCN(c1ccccc1)c1ccc(CNC(=O)CNC)cc1
InChIInChI=1S/C18H23N3O/c1-3-21(16-7-5-4-6-8-16)17-11-9-15(10-12-17)13-20-18(22)14-19-2/h4-12,19H,3,13-14H2,1-2H3,(H,20,22)
InChIKeyMIXVWVAXTHVIOE-UHFFFAOYSA-N
XLogP2.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(N-ethylanilino)phenyl]methyl]-4-(methylamino)butanamide
CID 119805510
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 61259556
3-[[4-(N-ethylanilino)phenyl]methylcarbamoylamino]propanoic acid
CID 122003904
N-[[4-(diethylamino)phenyl]methyl]-2-phenylacetamide
CID 99839692
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703369
N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119714333
N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109231703
N-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703880
2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 119835863
N-benzyl-2-(diethylamino)acetamide
CID 969777
N-[[4-(N-ethylanilino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119805525
2-[[4-(N-ethylanilino)phenyl]methylamino]-4-methylsulfanylbutanoic acid
CID 102563028

Frequently Asked Questions

What is the IUPAC name of N-[[4-(N-ethylanilino)phenyl]methyl]-2-(methylamino)acetamide?
The IUPAC name of N-[[4-(N-ethylanilino)phenyl]methyl]-2-(methylamino)acetamide (CID 119805514) is N-[[4-(N-ethylanilino)phenyl]methyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[[4-(N-ethylanilino)phenyl]methyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[[4-(N-ethylanilino)phenyl]methyl]-2-(methylamino)acetamide is CCN(c1ccccc1)c1ccc(CNC(=O)CNC)cc1.
What is the InChIKey of N-[[4-(N-ethylanilino)phenyl]methyl]-2-(methylamino)acetamide?
The InChIKey is MIXVWVAXTHVIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-21(16-7-5-4-6-8-16)17-11-9-15(10-12-17)13-20-18(22)14-19-2/h4-12,19H,3,13-14H2,1-2H3,(H,20,22).
What are the key properties of N-[[4-(N-ethylanilino)phenyl]methyl]-2-(methylamino)acetamide?
N-[[4-(N-ethylanilino)phenyl]methyl]-2-(methylamino)acetamide has a molecular weight of 297.40 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(N-ethylanilino)phenyl]methyl]-2-(methylamino)acetamide is sourced from PubChem (CID 119805514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).