N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2,4,5-trimethylbenzamide

C21H27NO3 — CID 100711328

IUPACN-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2,4,5-trimethylbenzamide
SMILESCC[C@H](NC(=O)c1cc(C)c(C)cc1C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H27NO3/c1-7-18(16-8-9-19(24-5)20(12-16)25-6)22-21(23)17-11-14(3)13(2)10-15(17)4/h8-12,18H,7H2,1-6H3,(H,22,23)/t18-/m0/s1
InChIKeyAMRXOBGUVLWJIY-SFHVURJKSA-N
MW341.45 g/mol
LogP4.51
Rot. Bonds6

About N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2,4,5-trimethylbenzamide

N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2,4,5-trimethylbenzamide (PubChem CID 100711328) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2,4,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2,4,5-trimethylbenzamide
PubChem CID100711328
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2,4,5-trimethylbenzamide
SMILESCC[C@H](NC(=O)c1cc(C)c(C)cc1C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H27NO3/c1-7-18(16-8-9-19(24-5)20(12-16)25-6)22-21(23)17-11-14(3)13(2)10-15(17)4/h8-12,18H,7H2,1-6H3,(H,22,23)/t18-/m0/s1
InChIKeyAMRXOBGUVLWJIY-SFHVURJKSA-N
XLogP4.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide
CID 133201858
2,4,5-trimethyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 100710053
4,5-dimethoxy-2-methyl-N-(1-phenylpropyl)benzamide
CID 56728755
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 132651370
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 100648795
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylpyridine-4-carboxamide
CID 99933793
2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100766332
4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100760961
4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210902
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methyl-3-nitrobenzamide
CID 132653990
4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100684625

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2,4,5-trimethylbenzamide?
The IUPAC name of N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2,4,5-trimethylbenzamide (CID 100711328) is N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2,4,5-trimethylbenzamide.
What is the SMILES notation for N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2,4,5-trimethylbenzamide?
The canonical SMILES for N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2,4,5-trimethylbenzamide is CC[C@H](NC(=O)c1cc(C)c(C)cc1C)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2,4,5-trimethylbenzamide?
The InChIKey is AMRXOBGUVLWJIY-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27NO3/c1-7-18(16-8-9-19(24-5)20(12-16)25-6)22-21(23)17-11-14(3)13(2)10-15(17)4/h8-12,18H,7H2,1-6H3,(H,22,23)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2,4,5-trimethylbenzamide?
N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2,4,5-trimethylbenzamide has a molecular weight of 341.45 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2,4,5-trimethylbenzamide is sourced from PubChem (CID 100711328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).