2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]-2-phenylpropanamide;dihydrochloride

C21H29Cl2N3O2 — CID 120596567

IUPAC2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]-2-phenylpropanamide;dihydrochloride
SMILESCC(c1ccc(NC(=O)C(C)(N)c2ccccc2)cc1)N1CCOCC1.Cl.Cl
InChIInChI=1S/C21H27N3O2.2ClH/c1-16(24-12-14-26-15-13-24)17-8-10-19(11-9-17)23-20(25)21(2,22)18-6-4-3-5-7-18;;/h3-11,16H,12-15,22H2,1-2H3,(H,23,25);2*1H
InChIKeyNSDRAYVJUBXOOV-UHFFFAOYSA-N
MW426.39 g/mol
LogP3.74
Rot. Bonds5

About 2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]-2-phenylpropanamide;dihydrochloride

2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]-2-phenylpropanamide;dihydrochloride (PubChem CID 120596567) has the molecular formula C21H29Cl2N3O2 and a molecular weight of 426.39 g/mol. Its IUPAC name is 2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]-2-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]-2-phenylpropanamide;dihydrochloride
PubChem CID120596567
Molecular FormulaC21H29Cl2N3O2
Molecular Weight426.39 g/mol
Exact Mass425.16
IUPAC Name2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]-2-phenylpropanamide;dihydrochloride
SMILESCC(c1ccc(NC(=O)C(C)(N)c2ccccc2)cc1)N1CCOCC1.Cl.Cl
InChIInChI=1S/C21H27N3O2.2ClH/c1-16(24-12-14-26-15-13-24)17-8-10-19(11-9-17)23-20(25)21(2,22)18-6-4-3-5-7-18;;/h3-11,16H,12-15,22H2,1-2H3,(H,23,25);2*1H
InChIKeyNSDRAYVJUBXOOV-UHFFFAOYSA-N
XLogP3.74
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide
CID 119878378
2-amino-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylpropanamide;dihydrochloride
CID 120595013
(2R)-2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide
CID 119878404
1-[(2R)-1-anilinopropan-2-yl]-3-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]urea
CID 97020119
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-phenylpropanamide;dihydrochloride
CID 120595365
1-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 129470856
2-amino-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-phenylpropanamide
CID 120595092
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
2-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]-2-phenylpropanamide;dihydrochloride
CID 120597102
2-amino-N-[4-(oxolan-3-yloxy)phenyl]-2-phenylpropanamide;hydrochloride
CID 120593039
2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-2-phenylpropanamide
CID 69467024

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]-2-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]-2-phenylpropanamide;dihydrochloride (CID 120596567) is 2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]-2-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]-2-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]-2-phenylpropanamide;dihydrochloride is CC(c1ccc(NC(=O)C(C)(N)c2ccccc2)cc1)N1CCOCC1.Cl.Cl.
What is the InChIKey of 2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]-2-phenylpropanamide;dihydrochloride?
The InChIKey is NSDRAYVJUBXOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.2ClH/c1-16(24-12-14-26-15-13-24)17-8-10-19(11-9-17)23-20(25)21(2,22)18-6-4-3-5-7-18;;/h3-11,16H,12-15,22H2,1-2H3,(H,23,25);2*1H.
What are the key properties of 2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]-2-phenylpropanamide;dihydrochloride?
2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]-2-phenylpropanamide;dihydrochloride has a molecular weight of 426.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]-2-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 120596567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).