N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(methoxymethyl)benzamide

C20H26N2O2 — CID 95298041

IUPACN-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C20H26N2O2/c1-15(13-16-9-11-18(12-10-16)22(2)3)21-20(23)19-8-6-5-7-17(19)14-24-4/h5-12,15H,13-14H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyMSOUFPXCSKMSSF-HNNXBMFYSA-N
MW326.44 g/mol
LogP3.26
Rot. Bonds7

About N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(methoxymethyl)benzamide

N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(methoxymethyl)benzamide (PubChem CID 95298041) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(methoxymethyl)benzamide
PubChem CID95298041
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C20H26N2O2/c1-15(13-16-9-11-18(12-10-16)22(2)3)21-20(23)19-8-6-5-7-17(19)14-24-4/h5-12,15H,13-14H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyMSOUFPXCSKMSSF-HNNXBMFYSA-N
XLogP3.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(methoxymethyl)benzamide?
The IUPAC name of N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(methoxymethyl)benzamide (CID 95298041) is N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(methoxymethyl)benzamide.
What is the SMILES notation for N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(methoxymethyl)benzamide?
The canonical SMILES for N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(methoxymethyl)benzamide is COCc1ccccc1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1.
What is the InChIKey of N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(methoxymethyl)benzamide?
The InChIKey is MSOUFPXCSKMSSF-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15(13-16-9-11-18(12-10-16)22(2)3)21-20(23)19-8-6-5-7-17(19)14-24-4/h5-12,15H,13-14H2,1-4H3,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(methoxymethyl)benzamide?
N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(methoxymethyl)benzamide has a molecular weight of 326.44 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(methoxymethyl)benzamide is sourced from PubChem (CID 95298041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).