2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide

C20H27N3O2 — CID 119946527

IUPAC2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
SMILESCCN(CC)CCOc1ccccc1CNC(=O)c1ccccc1N
InChIInChI=1S/C20H27N3O2/c1-3-23(4-2)13-14-25-19-12-8-5-9-16(19)15-22-20(24)17-10-6-7-11-18(17)21/h5-12H,3-4,13-15,21H2,1-2H3,(H,22,24)
InChIKeyGCZPXZRSMWWNFG-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.92
Rot. Bonds9

About 2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide

2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide (PubChem CID 119946527) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
PubChem CID119946527
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
SMILESCCN(CC)CCOc1ccccc1CNC(=O)c1ccccc1N
InChIInChI=1S/C20H27N3O2/c1-3-23(4-2)13-14-25-19-12-8-5-9-16(19)15-22-20(24)17-10-6-7-11-18(17)21/h5-12H,3-4,13-15,21H2,1-2H3,(H,22,24)
InChIKeyGCZPXZRSMWWNFG-UHFFFAOYSA-N
XLogP2.92
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(2-ethoxyphenyl)methyl]benzamide
CID 134085720
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 60513558
2-(4-aminophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide
CID 119848368
(2R)-2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]propanamide
CID 119848384
2-(2-cyanophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
CID 60513634
2-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide;dihydrochloride
CID 119946524
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 46480012
4-bromo-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564949
2-chloro-N-[1-[[2-[2-(diethylamino)ethoxy]phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55715360
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 60513635
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46480009
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide
CID 56823330

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide?
The IUPAC name of 2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide (CID 119946527) is 2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide.
What is the SMILES notation for 2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide?
The canonical SMILES for 2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide is CCN(CC)CCOc1ccccc1CNC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide?
The InChIKey is GCZPXZRSMWWNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-23(4-2)13-14-25-19-12-8-5-9-16(19)15-22-20(24)17-10-6-7-11-18(17)21/h5-12H,3-4,13-15,21H2,1-2H3,(H,22,24).
What are the key properties of 2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide?
2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide has a molecular weight of 341.46 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide is sourced from PubChem (CID 119946527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).