N-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide

C13H20N2O2 — CID 62589156

IUPACN-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide
SMILESCCOCCC(=O)N(C)Cc1ccc(N)cc1
InChIInChI=1S/C13H20N2O2/c1-3-17-9-8-13(16)15(2)10-11-4-6-12(14)7-5-11/h4-7H,3,8-10,14H2,1-2H3
InChIKeyRGENPGNHFZVMLK-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.65
Rot. Bonds6

About N-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide

N-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide (PubChem CID 62589156) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide
PubChem CID62589156
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide
SMILESCCOCCC(=O)N(C)Cc1ccc(N)cc1
InChIInChI=1S/C13H20N2O2/c1-3-17-9-8-13(16)15(2)10-11-4-6-12(14)7-5-11/h4-7H,3,8-10,14H2,1-2H3
InChIKeyRGENPGNHFZVMLK-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(5-amino-2-chlorophenyl)methyl]-3-ethoxy-N-methylpropanamide
CID 62588977
3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
CID 61089874
N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-propoxypropanamide
CID 62687145
N-[(4-aminophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112601790
3-ethoxy-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpropanamide
CID 90652400
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205414
N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-methylpropanamide
CID 43458114
1-[(4-aminophenyl)methyl]-3-ethyl-1,3-dimethylurea
CID 79159501
3-(4-aminophenoxy)-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 61093832
N-[(4-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-ethylpropanamide
CID 103205538
N-[(4-aminophenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 43458116
N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide
CID 55091685

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide (CID 62589156) is N-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide is CCOCCC(=O)N(C)Cc1ccc(N)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide?
The InChIKey is RGENPGNHFZVMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-17-9-8-13(16)15(2)10-11-4-6-12(14)7-5-11/h4-7H,3,8-10,14H2,1-2H3.
What are the key properties of N-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide?
N-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide 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-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide is sourced from PubChem (CID 62589156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).