2-(4-aminophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide

C21H29N3O2 — CID 119848368

IUPAC2-(4-aminophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide
SMILESCCN(CC)CCOc1ccccc1CNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C21H29N3O2/c1-3-24(4-2)13-14-26-20-8-6-5-7-18(20)16-23-21(25)15-17-9-11-19(22)12-10-17/h5-12H,3-4,13-16,22H2,1-2H3,(H,23,25)
InChIKeyMABXRNSLBYFAEN-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.85
Rot. Bonds10

About 2-(4-aminophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide

2-(4-aminophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide (PubChem CID 119848368) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide
PubChem CID119848368
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-(4-aminophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide
SMILESCCN(CC)CCOc1ccccc1CNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C21H29N3O2/c1-3-24(4-2)13-14-26-20-8-6-5-7-18(20)16-23-21(25)15-17-9-11-19(22)12-10-17/h5-12H,3-4,13-16,22H2,1-2H3,(H,23,25)
InChIKeyMABXRNSLBYFAEN-UHFFFAOYSA-N
XLogP2.85
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
CID 119946527
2-(4-aminophenyl)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide;dihydrochloride
CID 119848317
2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide
CID 119759010
(2R)-2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]propanamide
CID 119848384
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 46480012
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 60513558
2-(4-aminophenyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide;dihydrochloride
CID 119865216
2-(2-cyanophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
CID 60513634
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 60513635
2-chloro-N-[1-[[2-[2-(diethylamino)ethoxy]phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55715360
4-bromo-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564949
2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
CID 16787209

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide (CID 119848368) is 2-(4-aminophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide is CCN(CC)CCOc1ccccc1CNC(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide?
The InChIKey is MABXRNSLBYFAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-3-24(4-2)13-14-26-20-8-6-5-7-18(20)16-23-21(25)15-17-9-11-19(22)12-10-17/h5-12H,3-4,13-16,22H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-aminophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide?
2-(4-aminophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide has a molecular weight of 355.48 g/mol, XLogP of 2.85, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide is sourced from PubChem (CID 119848368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).