2-[(4-chlorophenyl)methyl-methylamino]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide

C23H30ClN3O2 — CID 8540974

IUPAC2-[(4-chlorophenyl)methyl-methylamino]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
SMILESC[C@H](NC(=O)CN(C)Cc1ccc(Cl)cc1)[C@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C23H30ClN3O2/c1-18(23(20-6-4-3-5-7-20)27-12-14-29-15-13-27)25-22(28)17-26(2)16-19-8-10-21(24)11-9-19/h3-11,18,23H,12-17H2,1-2H3,(H,25,28)/t18-,23+/m0/s1
InChIKeyIWXXXMJDGMLIEY-FDDCHVKYSA-N
MW415.97 g/mol
LogP3.35
Rot. Bonds8

About 2-[(4-chlorophenyl)methyl-methylamino]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide

2-[(4-chlorophenyl)methyl-methylamino]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide (PubChem CID 8540974) has the molecular formula C23H30ClN3O2 and a molecular weight of 415.97 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylamino]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylamino]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
PubChem CID8540974
Molecular FormulaC23H30ClN3O2
Molecular Weight415.97 g/mol
Exact Mass415.20
IUPAC Name2-[(4-chlorophenyl)methyl-methylamino]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
SMILESC[C@H](NC(=O)CN(C)Cc1ccc(Cl)cc1)[C@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C23H30ClN3O2/c1-18(23(20-6-4-3-5-7-20)27-12-14-29-15-13-27)25-22(28)17-26(2)16-19-8-10-21(24)11-9-19/h3-11,18,23H,12-17H2,1-2H3,(H,25,28)/t18-,23+/m0/s1
InChIKeyIWXXXMJDGMLIEY-FDDCHVKYSA-N
XLogP3.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.97
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-N-[(1S,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8552654
2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8555472
2-(2,4-difluorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8771178
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
1-(4-chlorophenyl)-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea
CID 3885285
2-fluoro-N-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzamide
CID 2328047
4-chloro-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzenesulfonamide
CID 2328593
2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8908520
N-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide
CID 146098369
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
1-(3,4-dichlorophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 2326040
1-(3,4-dichlorophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 2326038

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide (CID 8540974) is 2-[(4-chlorophenyl)methyl-methylamino]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylamino]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylamino]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide is C[C@H](NC(=O)CN(C)Cc1ccc(Cl)cc1)[C@H](c1ccccc1)N1CCOCC1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylamino]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide?
The InChIKey is IWXXXMJDGMLIEY-FDDCHVKYSA-N. The full InChI is InChI=1S/C23H30ClN3O2/c1-18(23(20-6-4-3-5-7-20)27-12-14-29-15-13-27)25-22(28)17-26(2)16-19-8-10-21(24)11-9-19/h3-11,18,23H,12-17H2,1-2H3,(H,25,28)/t18-,23+/m0/s1.
What are the key properties of 2-[(4-chlorophenyl)methyl-methylamino]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide?
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide has a molecular weight of 415.97 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylamino]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 8540974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).