N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide

C13H20N2O2 — CID 62588734

IUPACN-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide
SMILESCCN(Cc1cccc(N)c1)C(=O)CCOC
InChIInChI=1S/C13H20N2O2/c1-3-15(13(16)7-8-17-2)10-11-5-4-6-12(14)9-11/h4-6,9H,3,7-8,10,14H2,1-2H3
InChIKeyXMGFCEBHOOHQJD-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.65
Rot. Bonds6

About N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide

N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide (PubChem CID 62588734) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide
PubChem CID62588734
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide
SMILESCCN(Cc1cccc(N)c1)C(=O)CCOC
InChIInChI=1S/C13H20N2O2/c1-3-15(13(16)7-8-17-2)10-11-5-4-6-12(14)9-11/h4-6,9H,3,7-8,10,14H2,1-2H3
InChIKeyXMGFCEBHOOHQJD-UHFFFAOYSA-N
XLogP1.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminophenyl)methyl]-N-ethylhexanamide
CID 43383879
3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide
CID 28713346
N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-3-ethoxypropanamide
CID 62590077
N-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 43459012
N-[(3-aminophenyl)methyl]-N-propylpentanamide
CID 43383967
N-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide
CID 78984518
N-[(3-aminophenyl)methyl]-N-ethyl-3,4,4-trimethylpentanamide
CID 63833207
ethyl N-[(3-aminophenyl)methyl]-N-propylcarbamate
CID 43459708
N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide
CID 43459651
N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 43459023
2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide
CID 43461228
N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide
CID 43458930

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide (CID 62588734) is N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide is CCN(Cc1cccc(N)c1)C(=O)CCOC.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide?
The InChIKey is XMGFCEBHOOHQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-15(13(16)7-8-17-2)10-11-5-4-6-12(14)9-11/h4-6,9H,3,7-8,10,14H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide?
N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide is sourced from PubChem (CID 62588734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).