N-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide

C14H22N2O2 — CID 99839723

IUPACN-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide
SMILESCCN(CC)c1ccc(CNC(=O)COC)cc1
InChIInChI=1S/C14H22N2O2/c1-4-16(5-2)13-8-6-12(7-9-13)10-15-14(17)11-18-3/h6-9H,4-5,10-11H2,1-3H3,(H,15,17)
InChIKeyMDFRLVIWSVRMEM-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.80
Rot. Bonds7

About N-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide

N-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide (PubChem CID 99839723) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide
PubChem CID99839723
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide
SMILESCCN(CC)c1ccc(CNC(=O)COC)cc1
InChIInChI=1S/C14H22N2O2/c1-4-16(5-2)13-8-6-12(7-9-13)10-15-14(17)11-18-3/h6-9H,4-5,10-11H2,1-3H3,(H,15,17)
InChIKeyMDFRLVIWSVRMEM-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(diethylamino)phenyl]methyl]-2-(3-methoxyphenoxy)acetamide
CID 94614124
N-[[4-(diethylamino)phenyl]methyl]-2-phenylacetamide
CID 99839692
N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide
CID 29327648
2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide
CID 100610001
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
N'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945823
3-(3,4-diethoxyphenyl)-N-[[4-(diethylamino)phenyl]methyl]propanamide
CID 100527332
N-[[4-(diethylamino)phenyl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 100599953
N-[(4-carbamothioylphenyl)methyl]-2-methoxyacetamide
CID 62309444
2-[[4-(diethylamino)phenyl]methylamino]-N-ethylacetamide
CID 43398896
N,N-diethyl-4-[(2-methoxyethoxyamino)methyl]aniline
CID 82714297
2-[4-(diethylamino)anilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 109003192

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide (CID 99839723) is N-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide is CCN(CC)c1ccc(CNC(=O)COC)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide?
The InChIKey is MDFRLVIWSVRMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-16(5-2)13-8-6-12(7-9-13)10-15-14(17)11-18-3/h6-9H,4-5,10-11H2,1-3H3,(H,15,17).
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide?
N-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide has a molecular weight of 250.34 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 99839723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).