N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide

C17H26ClN3O2 — CID 95611859

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
SMILESC[C@@H](NC(=O)CN1CCO[C@H](CN(C)C)C1)c1ccccc1Cl
InChIInChI=1S/C17H26ClN3O2/c1-13(15-6-4-5-7-16(15)18)19-17(22)12-21-8-9-23-14(11-21)10-20(2)3/h4-7,13-14H,8-12H2,1-3H3,(H,19,22)/t13-,14-/m1/s1
InChIKeySFUWZRNFPSBEGL-ZIAGYGMSSA-N
MW339.87 g/mol
LogP1.78
Rot. Bonds6

About N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide

N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide (PubChem CID 95611859) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
PubChem CID95611859
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
SMILESC[C@@H](NC(=O)CN1CCO[C@H](CN(C)C)C1)c1ccccc1Cl
InChIInChI=1S/C17H26ClN3O2/c1-13(15-6-4-5-7-16(15)18)19-17(22)12-21-8-9-23-14(11-21)10-20(2)3/h4-7,13-14H,8-12H2,1-3H3,(H,19,22)/t13-,14-/m1/s1
InChIKeySFUWZRNFPSBEGL-ZIAGYGMSSA-N
XLogP1.78
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95332208
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894573
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 115969183
N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95348606
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 46677677
N-[1-(2-chlorophenyl)ethyl]-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825178
2-[4-(1-aminoethyl)piperidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119920519
1-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 125143071
N-[1-(2-chlorophenyl)ethyl]-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]acetamide
CID 60537959
ethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 46800821
N-(2-aminoethyl)-1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 119916680
N-(2-chlorophenyl)-2-[methyl-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]amino]acetamide
CID 9041318

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide (CID 95611859) is N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide is C[C@@H](NC(=O)CN1CCO[C@H](CN(C)C)C1)c1ccccc1Cl.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide?
The InChIKey is SFUWZRNFPSBEGL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-13(15-6-4-5-7-16(15)18)19-17(22)12-21-8-9-23-14(11-21)10-20(2)3/h4-7,13-14H,8-12H2,1-3H3,(H,19,22)/t13-,14-/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide?
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide has a molecular weight of 339.87 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide is sourced from PubChem (CID 95611859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).