N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide

C21H27NO3 — CID 7936483

IUPACN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
SMILESCCOc1ccc([C@H](C)NC(=O)c2cc(C)cc(C)c2)cc1OCC
InChIInChI=1S/C21H27NO3/c1-6-24-19-9-8-17(13-20(19)25-7-2)16(5)22-21(23)18-11-14(3)10-15(4)12-18/h8-13,16H,6-7H2,1-5H3,(H,22,23)/t16-/m0/s1
InChIKeyGLAIZKJCVNPUIO-INIZCTEOSA-N
MW341.45 g/mol
LogP4.59
Rot. Bonds7

About N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide

N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide (PubChem CID 7936483) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
PubChem CID7936483
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
SMILESCCOc1ccc([C@H](C)NC(=O)c2cc(C)cc(C)c2)cc1OCC
InChIInChI=1S/C21H27NO3/c1-6-24-19-9-8-17(13-20(19)25-7-2)16(5)22-21(23)18-11-14(3)10-15(4)12-18/h8-13,16H,6-7H2,1-5H3,(H,22,23)/t16-/m0/s1
InChIKeyGLAIZKJCVNPUIO-INIZCTEOSA-N
XLogP4.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3,5-dimethylbenzamide
CID 55748439
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
N-[1-[1-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 78771810
N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 43022798
N-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide
CID 46415111
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide
CID 27136904
4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 7936479
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8620540
N-[2-[1-(3,4-dipropoxyphenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 43017375
2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide
CID 100521380
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]-3,5-dimethylbenzamide?
The IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide (CID 7936483) is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide is CCOc1ccc([C@H](C)NC(=O)c2cc(C)cc(C)c2)cc1OCC.
What is the InChIKey of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide?
The InChIKey is GLAIZKJCVNPUIO-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27NO3/c1-6-24-19-9-8-17(13-20(19)25-7-2)16(5)22-21(23)18-11-14(3)10-15(4)12-18/h8-13,16H,6-7H2,1-5H3,(H,22,23)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide?
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide has a molecular weight of 341.45 g/mol, XLogP of 4.59, 7 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-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 7936483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).