N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide

C26H29N3O2 — CID 9392402

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
SMILESCc1ccc([C@H](NCC(=O)NCC(=O)Nc2c(C)cccc2C)c2ccccc2)cc1
InChIInChI=1S/C26H29N3O2/c1-18-12-14-22(15-13-18)26(21-10-5-4-6-11-21)28-16-23(30)27-17-24(31)29-25-19(2)8-7-9-20(25)3/h4-15,26,28H,16-17H2,1-3H3,(H,27,30)(H,29,31)/t26-/m1/s1
InChIKeyUTEWUVAGHWBUHZ-AREMUKBSSA-N
MW415.54 g/mol
LogP4.05
Rot. Bonds8

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide (PubChem CID 9392402) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
PubChem CID9392402
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
SMILESCc1ccc([C@H](NCC(=O)NCC(=O)Nc2c(C)cccc2C)c2ccccc2)cc1
InChIInChI=1S/C26H29N3O2/c1-18-12-14-22(15-13-18)26(21-10-5-4-6-11-21)28-16-23(30)27-17-24(31)29-25-19(2)8-7-9-20(25)3/h4-15,26,28H,16-17H2,1-3H3,(H,27,30)(H,29,31)/t26-/m1/s1
InChIKeyUTEWUVAGHWBUHZ-AREMUKBSSA-N
XLogP4.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393022
N-(2,6-difluorophenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392689
2-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]acetamide
CID 8641426
N-[2,6-di(propan-2-yl)phenyl]-2-[[(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 19874968
N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
N-(2-chloro-4,6-dimethylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9391703
2-(benzhydrylamino)-N-(2-methyl-6-nitrophenyl)acetamide
CID 8545864
2-(benzhydrylamino)-N-(2,6-diethylphenyl)acetamide
CID 2620925
2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9393079
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide
CID 9335096
N-(2,6-dimethylphenyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetamide
CID 110012993
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392246

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide (CID 9392402) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide is Cc1ccc([C@H](NCC(=O)NCC(=O)Nc2c(C)cccc2C)c2ccccc2)cc1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
The InChIKey is UTEWUVAGHWBUHZ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-18-12-14-22(15-13-18)26(21-10-5-4-6-11-21)28-16-23(30)27-17-24(31)29-25-19(2)8-7-9-20(25)3/h4-15,26,28H,16-17H2,1-3H3,(H,27,30)(H,29,31)/t26-/m1/s1.
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide has a molecular weight of 415.54 g/mol, XLogP of 4.05, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide is sourced from PubChem (CID 9392402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).