N-[(1R)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2,3-dimethylphenoxy)acetamide

C27H30N2O3 — CID 41046714

IUPACN-[(1R)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2,3-dimethylphenoxy)acetamide
SMILESCC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)COc2cccc(C)c2C)c1
InChIInChI=1S/C27H30N2O3/c1-19-10-8-15-26(20(19)2)32-18-27(31)29(17-23-11-6-5-7-12-23)21(3)24-13-9-14-25(16-24)28-22(4)30/h5-16,21H,17-18H2,1-4H3,(H,28,30)/t21-/m1/s1
InChIKeyYKAOYVWNXVDZHV-OAQYLSRUSA-N
MW430.55 g/mol
LogP5.43
Rot. Bonds8

About N-[(1R)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2,3-dimethylphenoxy)acetamide

N-[(1R)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2,3-dimethylphenoxy)acetamide (PubChem CID 41046714) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[(1R)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2,3-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2,3-dimethylphenoxy)acetamide
PubChem CID41046714
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-[(1R)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2,3-dimethylphenoxy)acetamide
SMILESCC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)COc2cccc(C)c2C)c1
InChIInChI=1S/C27H30N2O3/c1-19-10-8-15-26(20(19)2)32-18-27(31)29(17-23-11-6-5-7-12-23)21(3)24-13-9-14-25(16-24)28-22(4)30/h5-16,21H,17-18H2,1-4H3,(H,28,30)/t21-/m1/s1
InChIKeyYKAOYVWNXVDZHV-OAQYLSRUSA-N
XLogP5.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-[1-(3-acetamidophenyl)ethyl-benzylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55633083
N-[(1S)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-methoxyphenyl)acetamide
CID 30126182
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-methylbutanamide
CID 55505497
(2R)-2-[benzyl-[2-(2,3-dimethylphenoxy)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 100665209
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16611716
(E)-N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-phenylprop-2-enamide
CID 16583449
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(2-oxo-1-pyridinyl)propanamide
CID 86979589
(2R)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide
CID 100561244
2-[[2-(2,3-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133171176
2-[(3,4-dichlorophenyl)methyl-[2-(2,3-dimethylphenoxy)acetyl]amino]-N-methylpropanamide
CID 132667222
(2R)-2-[(3-chlorophenyl)methyl-[2-(2,3-dimethylphenoxy)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 100708420
2-[(4-bromophenyl)methyl-[2-(2,3-dimethylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133257930

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2,3-dimethylphenoxy)acetamide?
The IUPAC name of N-[(1R)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2,3-dimethylphenoxy)acetamide (CID 41046714) is N-[(1R)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2,3-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[(1R)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2,3-dimethylphenoxy)acetamide?
The canonical SMILES for N-[(1R)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2,3-dimethylphenoxy)acetamide is CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)COc2cccc(C)c2C)c1.
What is the InChIKey of N-[(1R)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2,3-dimethylphenoxy)acetamide?
The InChIKey is YKAOYVWNXVDZHV-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-19-10-8-15-26(20(19)2)32-18-27(31)29(17-23-11-6-5-7-12-23)21(3)24-13-9-14-25(16-24)28-22(4)30/h5-16,21H,17-18H2,1-4H3,(H,28,30)/t21-/m1/s1.
What are the key properties of N-[(1R)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2,3-dimethylphenoxy)acetamide?
N-[(1R)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2,3-dimethylphenoxy)acetamide has a molecular weight of 430.55 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2,3-dimethylphenoxy)acetamide is sourced from PubChem (CID 41046714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).