N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide

C20H25NO3 — CID 100712170

IUPACN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)c2cc(C)c(C)cc2C)c1
InChIInChI=1S/C20H25NO3/c1-12-9-14(3)17(10-13(12)2)20(22)21-15(4)18-11-16(23-5)7-8-19(18)24-6/h7-11,15H,1-6H3,(H,21,22)/t15-/m0/s1
InChIKeySPNYHXHDPWRFTO-HNNXBMFYSA-N
MW327.42 g/mol
LogP4.12
Rot. Bonds5

About N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide (PubChem CID 100712170) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
PubChem CID100712170
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)c2cc(C)c(C)cc2C)c1
InChIInChI=1S/C20H25NO3/c1-12-9-14(3)17(10-13(12)2)20(22)21-15(4)18-11-16(23-5)7-8-19(18)24-6/h7-11,15H,1-6H3,(H,21,22)/t15-/m0/s1
InChIKeySPNYHXHDPWRFTO-HNNXBMFYSA-N
XLogP4.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 9477021
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 133160272
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
2,4-dimethoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 17467082
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodo-4-methylbenzamide
CID 133164699
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide
CID 7366697
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5-tetrafluorobenzamide
CID 43031434
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 22107778
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methyl-3-nitrobenzamide
CID 51207644
(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 51683041

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide (CID 100712170) is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide is COc1ccc(OC)c([C@H](C)NC(=O)c2cc(C)c(C)cc2C)c1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide?
The InChIKey is SPNYHXHDPWRFTO-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-12-9-14(3)17(10-13(12)2)20(22)21-15(4)18-11-16(23-5)7-8-19(18)24-6/h7-11,15H,1-6H3,(H,21,22)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide?
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide has a molecular weight of 327.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide is sourced from PubChem (CID 100712170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).