3-amino-N-(2-morpholin-4-yl-2-phenylethyl)benzamide;dihydrochloride

C19H25Cl2N3O2 — CID 119853244

IUPAC3-amino-N-(2-morpholin-4-yl-2-phenylethyl)benzamide;dihydrochloride
SMILESCl.Cl.Nc1cccc(C(=O)NCC(c2ccccc2)N2CCOCC2)c1
InChIInChI=1S/C19H23N3O2.2ClH/c20-17-8-4-7-16(13-17)19(23)21-14-18(15-5-2-1-3-6-15)22-9-11-24-12-10-22;;/h1-8,13,18H,9-12,14,20H2,(H,21,23);2*1H
InChIKeyNIEAVPZJHMSDTA-UHFFFAOYSA-N
MW398.33 g/mol
LogP2.92
Rot. Bonds5

About 3-amino-N-(2-morpholin-4-yl-2-phenylethyl)benzamide;dihydrochloride

3-amino-N-(2-morpholin-4-yl-2-phenylethyl)benzamide;dihydrochloride (PubChem CID 119853244) has the molecular formula C19H25Cl2N3O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is 3-amino-N-(2-morpholin-4-yl-2-phenylethyl)benzamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-morpholin-4-yl-2-phenylethyl)benzamide;dihydrochloride
PubChem CID119853244
Molecular FormulaC19H25Cl2N3O2
Molecular Weight398.33 g/mol
Exact Mass397.13
IUPAC Name3-amino-N-(2-morpholin-4-yl-2-phenylethyl)benzamide;dihydrochloride
SMILESCl.Cl.Nc1cccc(C(=O)NCC(c2ccccc2)N2CCOCC2)c1
InChIInChI=1S/C19H23N3O2.2ClH/c20-17-8-4-7-16(13-17)19(23)21-14-18(15-5-2-1-3-6-15)22-9-11-24-12-10-22;;/h1-8,13,18H,9-12,14,20H2,(H,21,23);2*1H
InChIKeyNIEAVPZJHMSDTA-UHFFFAOYSA-N
XLogP2.92
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
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

3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 119830154
N-(2-morpholin-4-yl-2-phenylethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 46578774
4-amino-N-(2-morpholin-4-yl-2-phenylethyl)-3-nitrobenzamide
CID 46578636
N-(2-morpholin-4-yl-2-phenylethyl)-3H-benzimidazole-5-carboxamide
CID 42948401
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide
CID 30605183
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460638
3-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011132
3-chloro-N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 112506584
3-methoxy-N-[(2S)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 35576988
N-(2-morpholin-4-yl-2-phenylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 43057595
3-bromo-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzamide
CID 29090501

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-morpholin-4-yl-2-phenylethyl)benzamide;dihydrochloride?
The IUPAC name of 3-amino-N-(2-morpholin-4-yl-2-phenylethyl)benzamide;dihydrochloride (CID 119853244) is 3-amino-N-(2-morpholin-4-yl-2-phenylethyl)benzamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(2-morpholin-4-yl-2-phenylethyl)benzamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(2-morpholin-4-yl-2-phenylethyl)benzamide;dihydrochloride is Cl.Cl.Nc1cccc(C(=O)NCC(c2ccccc2)N2CCOCC2)c1.
What is the InChIKey of 3-amino-N-(2-morpholin-4-yl-2-phenylethyl)benzamide;dihydrochloride?
The InChIKey is NIEAVPZJHMSDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.2ClH/c20-17-8-4-7-16(13-17)19(23)21-14-18(15-5-2-1-3-6-15)22-9-11-24-12-10-22;;/h1-8,13,18H,9-12,14,20H2,(H,21,23);2*1H.
What are the key properties of 3-amino-N-(2-morpholin-4-yl-2-phenylethyl)benzamide;dihydrochloride?
3-amino-N-(2-morpholin-4-yl-2-phenylethyl)benzamide;dihydrochloride has a molecular weight of 398.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-morpholin-4-yl-2-phenylethyl)benzamide;dihydrochloride is sourced from PubChem (CID 119853244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).