N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide

C21H27NO4 — CID 8620540

IUPACN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide
SMILESCCOc1ccc([C@H](C)NC(=O)c2ccc(COC)cc2)cc1OCC
InChIInChI=1S/C21H27NO4/c1-5-25-19-12-11-18(13-20(19)26-6-2)15(3)22-21(23)17-9-7-16(8-10-17)14-24-4/h7-13,15H,5-6,14H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKeyXKFLZPINVKTKCV-HNNXBMFYSA-N
MW357.45 g/mol
LogP4.12
Rot. Bonds9

About N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide

N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide (PubChem CID 8620540) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide
PubChem CID8620540
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide
SMILESCCOc1ccc([C@H](C)NC(=O)c2ccc(COC)cc2)cc1OCC
InChIInChI=1S/C21H27NO4/c1-5-25-19-12-11-18(13-20(19)26-6-2)15(3)22-21(23)17-9-7-16(8-10-17)14-24-4/h7-13,15H,5-6,14H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKeyXKFLZPINVKTKCV-HNNXBMFYSA-N
XLogP4.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide
CID 78808076
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 17459758
N-[1-(3,4-diethoxyphenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78824780
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222
4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 7936479
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 43022798
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705940
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020364
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide?
The IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide (CID 8620540) is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide?
The canonical SMILES for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide is CCOc1ccc([C@H](C)NC(=O)c2ccc(COC)cc2)cc1OCC.
What is the InChIKey of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide?
The InChIKey is XKFLZPINVKTKCV-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-5-25-19-12-11-18(13-20(19)26-6-2)15(3)22-21(23)17-9-7-16(8-10-17)14-24-4/h7-13,15H,5-6,14H2,1-4H3,(H,22,23)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide?
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide has a molecular weight of 357.45 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide is sourced from PubChem (CID 8620540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).