N-(2-amino-2-phenylethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride

C22H31Cl2N3O2 — CID 119528441

IUPACN-(2-amino-2-phenylethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
SMILESCC1CN(Cc2ccc(C(=O)NCC(N)c3ccccc3)cc2)CC(C)O1.Cl.Cl
InChIInChI=1S/C22H29N3O2.2ClH/c1-16-13-25(14-17(2)27-16)15-18-8-10-20(11-9-18)22(26)24-12-21(23)19-6-4-3-5-7-19;;/h3-11,16-17,21H,12-15,23H2,1-2H3,(H,24,26);2*1H
InChIKeyNXELCNGSNOMNFP-UHFFFAOYSA-N
MW440.42 g/mol
LogP3.57
Rot. Bonds6

About N-(2-amino-2-phenylethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride

N-(2-amino-2-phenylethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride (PubChem CID 119528441) has the molecular formula C22H31Cl2N3O2 and a molecular weight of 440.42 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
PubChem CID119528441
Molecular FormulaC22H31Cl2N3O2
Molecular Weight440.42 g/mol
Exact Mass439.18
IUPAC NameN-(2-amino-2-phenylethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
SMILESCC1CN(Cc2ccc(C(=O)NCC(N)c3ccccc3)cc2)CC(C)O1.Cl.Cl
InChIInChI=1S/C22H29N3O2.2ClH/c1-16-13-25(14-17(2)27-16)15-18-8-10-20(11-9-18)22(26)24-12-21(23)19-6-4-3-5-7-19;;/h3-11,16-17,21H,12-15,23H2,1-2H3,(H,24,26);2*1H
InChIKeyNXELCNGSNOMNFP-UHFFFAOYSA-N
XLogP3.57
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-2-phenylethyl)benzamide
CID 60543626
(2S)-2-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-2-phenylacetic acid
CID 124690072
methyl 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]amino]-3-phenylpropanoate
CID 46483772
(2S)-2-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-3-phenylpropanoic acid
CID 124627933
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 55637021
(2S)-2-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-3-methylbutanoic acid
CID 124682570
[2-oxo-2-(1-phenylbutylamino)ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
CID 55995069
N-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 47027087
N-(1-amino-4-methylpentan-2-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 119586982
(2S,3S)-2-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-3-methylpentanoic acid
CID 124684005
4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide
CID 46417014
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-propan-2-yloxybenzamide
CID 46449419

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride (CID 119528441) is N-(2-amino-2-phenylethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride is CC1CN(Cc2ccc(C(=O)NCC(N)c3ccccc3)cc2)CC(C)O1.Cl.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride?
The InChIKey is NXELCNGSNOMNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2.2ClH/c1-16-13-25(14-17(2)27-16)15-18-8-10-20(11-9-18)22(26)24-12-21(23)19-6-4-3-5-7-19;;/h3-11,16-17,21H,12-15,23H2,1-2H3,(H,24,26);2*1H.
What are the key properties of N-(2-amino-2-phenylethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride?
N-(2-amino-2-phenylethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride has a molecular weight of 440.42 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride is sourced from PubChem (CID 119528441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).