N-[2-[[(R)-(4-chlorophenyl)-[(2S)-4-methylmorpholin-2-yl]methyl]amino]-2-oxoethyl]-2-phenylacetamide

C22H26ClN3O3 — CID 97251834

IUPACN-[2-[[(R)-(4-chlorophenyl)-[(2S)-4-methylmorpholin-2-yl]methyl]amino]-2-oxoethyl]-2-phenylacetamide
SMILESCN1CCO[C@H]([C@H](NC(=O)CNC(=O)Cc2ccccc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H26ClN3O3/c1-26-11-12-29-19(15-26)22(17-7-9-18(23)10-8-17)25-21(28)14-24-20(27)13-16-5-3-2-4-6-16/h2-10,19,22H,11-15H2,1H3,(H,24,27)(H,25,28)/t19-,22+/m0/s1
InChIKeyYDYXDBOLJJIPGP-SIKLNZKXSA-N
MW415.92 g/mol
LogP2.19
Rot. Bonds7

About N-[2-[[(R)-(4-chlorophenyl)-[(2S)-4-methylmorpholin-2-yl]methyl]amino]-2-oxoethyl]-2-phenylacetamide

N-[2-[[(R)-(4-chlorophenyl)-[(2S)-4-methylmorpholin-2-yl]methyl]amino]-2-oxoethyl]-2-phenylacetamide (PubChem CID 97251834) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is N-[2-[[(R)-(4-chlorophenyl)-[(2S)-4-methylmorpholin-2-yl]methyl]amino]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[[(R)-(4-chlorophenyl)-[(2S)-4-methylmorpholin-2-yl]methyl]amino]-2-oxoethyl]-2-phenylacetamide
PubChem CID97251834
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC NameN-[2-[[(R)-(4-chlorophenyl)-[(2S)-4-methylmorpholin-2-yl]methyl]amino]-2-oxoethyl]-2-phenylacetamide
SMILESCN1CCO[C@H]([C@H](NC(=O)CNC(=O)Cc2ccccc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H26ClN3O3/c1-26-11-12-29-19(15-26)22(17-7-9-18(23)10-8-17)25-21(28)14-24-20(27)13-16-5-3-2-4-6-16/h2-10,19,22H,11-15H2,1H3,(H,24,27)(H,25,28)/t19-,22+/m0/s1
InChIKeyYDYXDBOLJJIPGP-SIKLNZKXSA-N
XLogP2.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 75395849
N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-methoxypropanamide
CID 75437440
N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-ethoxycyclopropane-1-carboxamide
CID 127702085
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
1-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 75514588
N-[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]-2-phenylacetamide
CID 17450177
N-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 41490453
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]acetamide
CID 95336812
N-[(S)-(4-chlorophenyl)-[(2R)-4-methylmorpholin-2-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 99636385
N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 86795755
(1R)-1-(4-chlorophenyl)-N-[(2-methoxy-4-methylphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 97253369
N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 86795754

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(R)-(4-chlorophenyl)-[(2S)-4-methylmorpholin-2-yl]methyl]amino]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[[(R)-(4-chlorophenyl)-[(2S)-4-methylmorpholin-2-yl]methyl]amino]-2-oxoethyl]-2-phenylacetamide (CID 97251834) is N-[2-[[(R)-(4-chlorophenyl)-[(2S)-4-methylmorpholin-2-yl]methyl]amino]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[[(R)-(4-chlorophenyl)-[(2S)-4-methylmorpholin-2-yl]methyl]amino]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[[(R)-(4-chlorophenyl)-[(2S)-4-methylmorpholin-2-yl]methyl]amino]-2-oxoethyl]-2-phenylacetamide is CN1CCO[C@H]([C@H](NC(=O)CNC(=O)Cc2ccccc2)c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-[[(R)-(4-chlorophenyl)-[(2S)-4-methylmorpholin-2-yl]methyl]amino]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is YDYXDBOLJJIPGP-SIKLNZKXSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-26-11-12-29-19(15-26)22(17-7-9-18(23)10-8-17)25-21(28)14-24-20(27)13-16-5-3-2-4-6-16/h2-10,19,22H,11-15H2,1H3,(H,24,27)(H,25,28)/t19-,22+/m0/s1.
What are the key properties of N-[2-[[(R)-(4-chlorophenyl)-[(2S)-4-methylmorpholin-2-yl]methyl]amino]-2-oxoethyl]-2-phenylacetamide?
N-[2-[[(R)-(4-chlorophenyl)-[(2S)-4-methylmorpholin-2-yl]methyl]amino]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 415.92 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(R)-(4-chlorophenyl)-[(2S)-4-methylmorpholin-2-yl]methyl]amino]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 97251834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).