2-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide;dihydrochloride

C20H29Cl2N3O2 — CID 119946524

IUPAC2-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide;dihydrochloride
SMILESCCN(CC)CCOc1ccc(CNC(=O)c2ccccc2N)cc1.Cl.Cl
InChIInChI=1S/C20H27N3O2.2ClH/c1-3-23(4-2)13-14-25-17-11-9-16(10-12-17)15-22-20(24)18-7-5-6-8-19(18)21;;/h5-12H,3-4,13-15,21H2,1-2H3,(H,22,24);2*1H
InChIKeyXTPPOSNURCQZAO-UHFFFAOYSA-N
MW414.38 g/mol
LogP3.76
Rot. Bonds9

About 2-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide;dihydrochloride

2-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide;dihydrochloride (PubChem CID 119946524) has the molecular formula C20H29Cl2N3O2 and a molecular weight of 414.38 g/mol. Its IUPAC name is 2-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide;dihydrochloride
PubChem CID119946524
Molecular FormulaC20H29Cl2N3O2
Molecular Weight414.38 g/mol
Exact Mass413.16
IUPAC Name2-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide;dihydrochloride
SMILESCCN(CC)CCOc1ccc(CNC(=O)c2ccccc2N)cc1.Cl.Cl
InChIInChI=1S/C20H27N3O2.2ClH/c1-3-23(4-2)13-14-25-17-11-9-16(10-12-17)15-22-20(24)18-7-5-6-8-19(18)21;;/h5-12H,3-4,13-15,21H2,1-2H3,(H,22,24);2*1H
InChIKeyXTPPOSNURCQZAO-UHFFFAOYSA-N
XLogP3.76
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 53.76
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-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
CID 119946527
5-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methylbenzamide
CID 120642057
2-(4-aminophenyl)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide;dihydrochloride
CID 119848317
2-[amino(methyl)amino]-N-[[4-[3-(diethylamino)propoxy]phenyl]methyl]benzamide
CID 142171716
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide
CID 15137011
2-amino-N-[[4-(diethylaminosulfanyl)phenyl]methyl]benzamide
CID 174280143
2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide
CID 119946492
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
2-amino-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]benzamide
CID 87542425
2-(4-aminophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide
CID 119848368
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
(2S,5R)-5-(aminomethyl)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]oxolane-2-carboxamide;dihydrochloride
CID 120798039

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide;dihydrochloride (CID 119946524) is 2-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide;dihydrochloride is CCN(CC)CCOc1ccc(CNC(=O)c2ccccc2N)cc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide;dihydrochloride?
The InChIKey is XTPPOSNURCQZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2.2ClH/c1-3-23(4-2)13-14-25-17-11-9-16(10-12-17)15-22-20(24)18-7-5-6-8-19(18)21;;/h5-12H,3-4,13-15,21H2,1-2H3,(H,22,24);2*1H.
What are the key properties of 2-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide;dihydrochloride?
2-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide;dihydrochloride has a molecular weight of 414.38 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide;dihydrochloride is sourced from PubChem (CID 119946524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).