N-[2,6-di(propan-2-yl)phenyl]-2-[[2-(3-methylphenyl)phenyl]methylamino]acetamide

C28H34N2O — CID 67942737

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-[[2-(3-methylphenyl)phenyl]methylamino]acetamide
SMILESCc1cccc(-c2ccccc2CNCC(=O)Nc2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C28H34N2O/c1-19(2)24-14-9-15-25(20(3)4)28(24)30-27(31)18-29-17-23-11-6-7-13-26(23)22-12-8-10-21(5)16-22/h6-16,19-20,29H,17-18H2,1-5H3,(H,30,31)
InChIKeySRNWIEWBVLVXOI-UHFFFAOYSA-N
MW414.59 g/mol
LogP6.64
Rot. Bonds8

About N-[2,6-di(propan-2-yl)phenyl]-2-[[2-(3-methylphenyl)phenyl]methylamino]acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-[[2-(3-methylphenyl)phenyl]methylamino]acetamide (PubChem CID 67942737) has the molecular formula C28H34N2O and a molecular weight of 414.59 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-[[2-(3-methylphenyl)phenyl]methylamino]acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-[[2-(3-methylphenyl)phenyl]methylamino]acetamide
PubChem CID67942737
Molecular FormulaC28H34N2O
Molecular Weight414.59 g/mol
Exact Mass414.27
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-[[2-(3-methylphenyl)phenyl]methylamino]acetamide
SMILESCc1cccc(-c2ccccc2CNCC(=O)Nc2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C28H34N2O/c1-19(2)24-14-9-15-25(20(3)4)28(24)30-27(31)18-29-17-23-11-6-7-13-26(23)22-12-8-10-21(5)16-22/h6-16,19-20,29H,17-18H2,1-5H3,(H,30,31)
InChIKeySRNWIEWBVLVXOI-UHFFFAOYSA-N
XLogP6.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-[(2-fluorophenyl)methylamino]acetamide;oxalic acid
CID 15945258
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide
CID 113000636
N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997808
N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 4793295
2-[(2-methylphenyl)methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 108996565
2-[[4-(dimethylamino)phenyl]methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 19874958
2-(2,4-dimethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 100755607
3-[(2-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 109019326
2-(3-acetamidoanilino)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 109009934
N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119671524
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910451
N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide
CID 4877514

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[[2-(3-methylphenyl)phenyl]methylamino]acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[[2-(3-methylphenyl)phenyl]methylamino]acetamide (CID 67942737) is N-[2,6-di(propan-2-yl)phenyl]-2-[[2-(3-methylphenyl)phenyl]methylamino]acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-[[2-(3-methylphenyl)phenyl]methylamino]acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-[[2-(3-methylphenyl)phenyl]methylamino]acetamide is Cc1cccc(-c2ccccc2CNCC(=O)Nc2c(C(C)C)cccc2C(C)C)c1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-[[2-(3-methylphenyl)phenyl]methylamino]acetamide?
The InChIKey is SRNWIEWBVLVXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O/c1-19(2)24-14-9-15-25(20(3)4)28(24)30-27(31)18-29-17-23-11-6-7-13-26(23)22-12-8-10-21(5)16-22/h6-16,19-20,29H,17-18H2,1-5H3,(H,30,31).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-[[2-(3-methylphenyl)phenyl]methylamino]acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-[[2-(3-methylphenyl)phenyl]methylamino]acetamide has a molecular weight of 414.59 g/mol, XLogP of 6.64, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-[[2-(3-methylphenyl)phenyl]methylamino]acetamide is sourced from PubChem (CID 67942737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).