N-(2,6-dimethylphenyl)-2-[[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide

C23H31N3O2 — CID 9221920

IUPACN-(2,6-dimethylphenyl)-2-[[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
SMILESCCc1ccc([C@@H](C)NC(=O)CN(C)CC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C23H31N3O2/c1-6-19-10-12-20(13-11-19)18(4)24-21(27)14-26(5)15-22(28)25-23-16(2)8-7-9-17(23)3/h7-13,18H,6,14-15H2,1-5H3,(H,24,27)(H,25,28)/t18-/m1/s1
InChIKeyOSSQESCDCHOCRS-GOSISDBHSA-N
MW381.52 g/mol
LogP3.61
Rot. Bonds8

About N-(2,6-dimethylphenyl)-2-[[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide

N-(2,6-dimethylphenyl)-2-[[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 9221920) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
PubChem CID9221920
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-(2,6-dimethylphenyl)-2-[[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
SMILESCCc1ccc([C@@H](C)NC(=O)CN(C)CC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C23H31N3O2/c1-6-19-10-12-20(13-11-19)18(4)24-21(27)14-26(5)15-22(28)25-23-16(2)8-7-9-17(23)3/h7-13,18H,6,14-15H2,1-5H3,(H,24,27)(H,25,28)/t18-/m1/s1
InChIKeyOSSQESCDCHOCRS-GOSISDBHSA-N
XLogP3.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 51226406
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 27107976
N-[1-(4-ethylphenyl)ethyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 111336392
2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287679
N-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide
CID 40811799
2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 8793859
2-[methyl-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9043889
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133166559
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 9222192
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9338807
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 100605824
2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide (CID 9221920) is N-(2,6-dimethylphenyl)-2-[[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide is CCc1ccc([C@@H](C)NC(=O)CN(C)CC(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is OSSQESCDCHOCRS-GOSISDBHSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-6-19-10-12-20(13-11-19)18(4)24-21(27)14-26(5)15-22(28)25-23-16(2)8-7-9-17(23)3/h7-13,18H,6,14-15H2,1-5H3,(H,24,27)(H,25,28)/t18-/m1/s1.
What are the key properties of N-(2,6-dimethylphenyl)-2-[[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide?
N-(2,6-dimethylphenyl)-2-[[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 381.52 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 9221920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).