N-[(2-chlorophenyl)methyl]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propanamide

C17H26ClN3O2 — CID 95332163

IUPACN-[(2-chlorophenyl)methyl]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propanamide
SMILESCN(C)C[C@H]1CN(CCC(=O)NCc2ccccc2Cl)CCO1
InChIInChI=1S/C17H26ClN3O2/c1-20(2)12-15-13-21(9-10-23-15)8-7-17(22)19-11-14-5-3-4-6-16(14)18/h3-6,15H,7-13H2,1-2H3,(H,19,22)/t15-/m0/s1
InChIKeyACVZCFAFTHBRJI-HNNXBMFYSA-N
MW339.87 g/mol
LogP1.61
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propanamide

N-[(2-chlorophenyl)methyl]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propanamide (PubChem CID 95332163) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propanamide
PubChem CID95332163
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propanamide
SMILESCN(C)C[C@H]1CN(CCC(=O)NCc2ccccc2Cl)CCO1
InChIInChI=1S/C17H26ClN3O2/c1-20(2)12-15-13-21(9-10-23-15)8-7-17(22)19-11-14-5-3-4-6-16(14)18/h3-6,15H,7-13H2,1-2H3,(H,19,22)/t15-/m0/s1
InChIKeyACVZCFAFTHBRJI-HNNXBMFYSA-N
XLogP1.61
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propanamide (CID 95332163) is N-[(2-chlorophenyl)methyl]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propanamide is CN(C)C[C@H]1CN(CCC(=O)NCc2ccccc2Cl)CCO1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propanamide?
The InChIKey is ACVZCFAFTHBRJI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-20(2)12-15-13-21(9-10-23-15)8-7-17(22)19-11-14-5-3-4-6-16(14)18/h3-6,15H,7-13H2,1-2H3,(H,19,22)/t15-/m0/s1.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propanamide?
N-[(2-chlorophenyl)methyl]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propanamide has a molecular weight of 339.87 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propanamide is sourced from PubChem (CID 95332163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).