N-[[(2S,5S)-4-[(3,4-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methyl]-2-phenylacetamide

C21H24Cl2N2O2 — CID 68881261

IUPACN-[[(2S,5S)-4-[(3,4-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methyl]-2-phenylacetamide
SMILESC[C@H]1CO[C@@H](CNC(=O)Cc2ccccc2)CN1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H24Cl2N2O2/c1-15-14-27-18(11-24-21(26)10-16-5-3-2-4-6-16)13-25(15)12-17-7-8-19(22)20(23)9-17/h2-9,15,18H,10-14H2,1H3,(H,24,26)/t15-,18-/m0/s1
InChIKeyPTUBNTVRWLDJBP-YJBOKZPZSA-N
MW407.34 g/mol
LogP3.94
Rot. Bonds6

About N-[[(2S,5S)-4-[(3,4-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methyl]-2-phenylacetamide

N-[[(2S,5S)-4-[(3,4-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methyl]-2-phenylacetamide (PubChem CID 68881261) has the molecular formula C21H24Cl2N2O2 and a molecular weight of 407.34 g/mol. Its IUPAC name is N-[[(2S,5S)-4-[(3,4-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[(2S,5S)-4-[(3,4-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methyl]-2-phenylacetamide
PubChem CID68881261
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.34 g/mol
Exact Mass406.12
IUPAC NameN-[[(2S,5S)-4-[(3,4-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methyl]-2-phenylacetamide
SMILESC[C@H]1CO[C@@H](CNC(=O)Cc2ccccc2)CN1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H24Cl2N2O2/c1-15-14-27-18(11-24-21(26)10-16-5-3-2-4-6-16)13-25(15)12-17-7-8-19(22)20(23)9-17/h2-9,15,18H,10-14H2,1H3,(H,24,26)/t15-,18-/m0/s1
InChIKeyPTUBNTVRWLDJBP-YJBOKZPZSA-N
XLogP3.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(3,4-dichlorophenyl)methyl]-1,4-oxazepan-6-yl]methyl]-2-phenylacetamide
CID 10024349
[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
CID 124512761
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 142811336
N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 85330039
5-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]furan-2-carboxylic acid;N,N-diethylethanamine
CID 10392176
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(5-hydroxy-4-oxopyran-2-yl)acetamide
CID 142811416
[4-[(2-chloro-4-pyridinyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81203357
6-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanylpyridazine-3-carboxamide
CID 59009186
4-[2-[[(2S)-4-[(4-chloro-3-methylphenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]cyclopenta-1,4-diene-1-carboxylic acid
CID 142811315
4-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethoxy]benzoic acid
CID 68964587

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5S)-4-[(3,4-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[(2S,5S)-4-[(3,4-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methyl]-2-phenylacetamide (CID 68881261) is N-[[(2S,5S)-4-[(3,4-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[(2S,5S)-4-[(3,4-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[(2S,5S)-4-[(3,4-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methyl]-2-phenylacetamide is C[C@H]1CO[C@@H](CNC(=O)Cc2ccccc2)CN1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[[(2S,5S)-4-[(3,4-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methyl]-2-phenylacetamide?
The InChIKey is PTUBNTVRWLDJBP-YJBOKZPZSA-N. The full InChI is InChI=1S/C21H24Cl2N2O2/c1-15-14-27-18(11-24-21(26)10-16-5-3-2-4-6-16)13-25(15)12-17-7-8-19(22)20(23)9-17/h2-9,15,18H,10-14H2,1H3,(H,24,26)/t15-,18-/m0/s1.
What are the key properties of N-[[(2S,5S)-4-[(3,4-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methyl]-2-phenylacetamide?
N-[[(2S,5S)-4-[(3,4-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methyl]-2-phenylacetamide has a molecular weight of 407.34 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5S)-4-[(3,4-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 68881261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).