N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide

C22H29NO3 — CID 100755758

IUPACN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)Cc2ccc(C)cc2C)cc1OCC
InChIInChI=1S/C22H29NO3/c1-6-25-20-11-10-19(13-21(20)26-7-2)17(5)23-22(24)14-18-9-8-15(3)12-16(18)4/h8-13,17H,6-7,14H2,1-5H3,(H,23,24)/t17-/m0/s1
InChIKeyWBESBZFJZFTLBQ-KRWDZBQOSA-N
MW355.48 g/mol
LogP4.52
Rot. Bonds8

About N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide

N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide (PubChem CID 100755758) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide
PubChem CID100755758
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)Cc2ccc(C)cc2C)cc1OCC
InChIInChI=1S/C22H29NO3/c1-6-25-20-11-10-19(13-21(20)26-7-2)17(5)23-22(24)14-18-9-8-15(3)12-16(18)4/h8-13,17H,6-7,14H2,1-5H3,(H,23,24)/t17-/m0/s1
InChIKeyWBESBZFJZFTLBQ-KRWDZBQOSA-N
XLogP4.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
3-acetamido-N-[1-(3,4-diethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 46448379
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 43011681
2-(2,4-dimethylphenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 100749058
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46415728
N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
CID 78771296
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
CID 119683000
2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide
CID 100521380
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 9437325
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43885781

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide (CID 100755758) is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide is CCOc1ccc([C@H](C)NC(=O)Cc2ccc(C)cc2C)cc1OCC.
What is the InChIKey of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide?
The InChIKey is WBESBZFJZFTLBQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H29NO3/c1-6-25-20-11-10-19(13-21(20)26-7-2)17(5)23-22(24)14-18-9-8-15(3)12-16(18)4/h8-13,17H,6-7,14H2,1-5H3,(H,23,24)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide?
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 355.48 g/mol, XLogP of 4.52, 8 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]-2-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 100755758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).