N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethylamino)acetamide;dihydrochloride

C19H31Cl2N3O3 — CID 119834742

IUPACN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethylamino)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CCCO1)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C19H29N3O3.2ClH/c23-19(14-20-13-18-6-3-9-25-18)21-12-16-4-1-2-5-17(16)15-22-7-10-24-11-8-22;;/h1-2,4-5,18,20H,3,6-15H2,(H,21,23);2*1H
InChIKeyPXWYBKAKBHOLOZ-UHFFFAOYSA-N
MW420.38 g/mol
LogP1.75
Rot. Bonds8

About N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethylamino)acetamide;dihydrochloride

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethylamino)acetamide;dihydrochloride (PubChem CID 119834742) has the molecular formula C19H31Cl2N3O3 and a molecular weight of 420.38 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethylamino)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethylamino)acetamide;dihydrochloride
PubChem CID119834742
Molecular FormulaC19H31Cl2N3O3
Molecular Weight420.38 g/mol
Exact Mass419.17
IUPAC NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethylamino)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CCCO1)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C19H29N3O3.2ClH/c23-19(14-20-13-18-6-3-9-25-18)21-12-16-4-1-2-5-17(16)15-22-7-10-24-11-8-22;;/h1-2,4-5,18,20H,3,6-15H2,(H,21,23);2*1H
InChIKeyPXWYBKAKBHOLOZ-UHFFFAOYSA-N
XLogP1.75
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 36858418
N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481147
N-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 108994232
N-benzyl-2-(oxan-2-ylmethylamino)acetamide
CID 60971571
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride
CID 119834762
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
N-[(2,4-dichlorophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119674688
2,2-dimethyl-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]propanamide
CID 31444039
N-[(4-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119677338
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide
CID 60503666
4-(azepan-1-ylmethyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 55769235

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethylamino)acetamide;dihydrochloride?
The IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethylamino)acetamide;dihydrochloride (CID 119834742) is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethylamino)acetamide;dihydrochloride.
What is the SMILES notation for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethylamino)acetamide;dihydrochloride?
The canonical SMILES for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethylamino)acetamide;dihydrochloride is Cl.Cl.O=C(CNCC1CCCO1)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethylamino)acetamide;dihydrochloride?
The InChIKey is PXWYBKAKBHOLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.2ClH/c23-19(14-20-13-18-6-3-9-25-18)21-12-16-4-1-2-5-17(16)15-22-7-10-24-11-8-22;;/h1-2,4-5,18,20H,3,6-15H2,(H,21,23);2*1H.
What are the key properties of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethylamino)acetamide;dihydrochloride?
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethylamino)acetamide;dihydrochloride has a molecular weight of 420.38 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethylamino)acetamide;dihydrochloride is sourced from PubChem (CID 119834742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).