N-[5-[(1S)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-2-methoxyphenyl]acetamide

C21H28N2O2 — CID 97232152

IUPACN-[5-[(1S)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc([C@H](C)N[C@H](C)c2cccc(C)c2C)cc1NC(C)=O
InChIInChI=1S/C21H28N2O2/c1-13-8-7-9-19(14(13)2)16(4)22-15(3)18-10-11-21(25-6)20(12-18)23-17(5)24/h7-12,15-16,22H,1-6H3,(H,23,24)/t15-,16+/m0/s1
InChIKeyIUMXWCJVOKGQAQ-JKSUJKDBSA-N
MW340.47 g/mol
LogP4.68
Rot. Bonds6

About N-[5-[(1S)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-2-methoxyphenyl]acetamide

N-[5-[(1S)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-2-methoxyphenyl]acetamide (PubChem CID 97232152) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[5-[(1S)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(1S)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-2-methoxyphenyl]acetamide
PubChem CID97232152
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[5-[(1S)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc([C@H](C)N[C@H](C)c2cccc(C)c2C)cc1NC(C)=O
InChIInChI=1S/C21H28N2O2/c1-13-8-7-9-19(14(13)2)16(4)22-15(3)18-10-11-21(25-6)20(12-18)23-17(5)24/h7-12,15-16,22H,1-6H3,(H,23,24)/t15-,16+/m0/s1
InChIKeyIUMXWCJVOKGQAQ-JKSUJKDBSA-N
XLogP4.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2,3-dimethylbenzamide
CID 8873770
1-(4-fluoro-3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 83059000
2-acetamido-N-(2-methoxy-5-propan-2-ylphenyl)acetamide
CID 71156213
3-acetamido-N-(2-methoxy-5-propan-2-ylphenyl)benzamide
CID 110792606
N-(5-iodo-2-methoxyphenyl)acetamide
CID 11737859
N-(2,3-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44996651
N-[5-(1-amino-4-methylpentan-3-yl)-2-methoxyphenyl]acetamide
CID 112514061
N-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 28557971
(1R)-1-(3-methoxyphenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81376128
1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81374819
N-[1-(2,3-dimethylphenyl)ethyl]propan-2-amine
CID 115705431
N-[2-methoxy-5-[1-[(2-methyl-3-thiophen-2-ylpropyl)amino]ethyl]phenyl]acetamide
CID 75428378

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[(1S)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-2-methoxyphenyl]acetamide (CID 97232152) is N-[5-[(1S)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[(1S)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[(1S)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-2-methoxyphenyl]acetamide is COc1ccc([C@H](C)N[C@H](C)c2cccc(C)c2C)cc1NC(C)=O.
What is the InChIKey of N-[5-[(1S)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-2-methoxyphenyl]acetamide?
The InChIKey is IUMXWCJVOKGQAQ-JKSUJKDBSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-13-8-7-9-19(14(13)2)16(4)22-15(3)18-10-11-21(25-6)20(12-18)23-17(5)24/h7-12,15-16,22H,1-6H3,(H,23,24)/t15-,16+/m0/s1.
What are the key properties of N-[5-[(1S)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-2-methoxyphenyl]acetamide?
N-[5-[(1S)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-2-methoxyphenyl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1S)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 97232152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).