2-[benzyl(ethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide

C23H32N2O — CID 8541792

IUPAC2-[benzyl(ethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1c(C(C)C)cccc1C(C)C)Cc1ccccc1
InChIInChI=1S/C23H32N2O/c1-6-25(15-19-11-8-7-9-12-19)16-22(26)24-23-20(17(2)3)13-10-14-21(23)18(4)5/h7-14,17-18H,6,15-16H2,1-5H3,(H,24,26)
InChIKeyVMTGHPSBKHNTQP-UHFFFAOYSA-N
MW352.52 g/mol
LogP5.39
Rot. Bonds8

About 2-[benzyl(ethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide

2-[benzyl(ethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 8541792) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID8541792
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name2-[benzyl(ethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1c(C(C)C)cccc1C(C)C)Cc1ccccc1
InChIInChI=1S/C23H32N2O/c1-6-25(15-19-11-8-7-9-12-19)16-22(26)24-23-20(17(2)3)13-10-14-21(23)18(4)5/h7-14,17-18H,6,15-16H2,1-5H3,(H,24,26)
InChIKeyVMTGHPSBKHNTQP-UHFFFAOYSA-N
XLogP5.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 8541330
2-[benzyl(ethyl)amino]-N-(2,6-diethylphenyl)acetamide
CID 78787460
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 40703481
bis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+)
CID 159006610
N'-benzyl-N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylpropanediamide
CID 11223159
2-[bis(furan-2-ylmethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 46614486
2-[bis(2-methoxyethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 33483708
2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 108998932
2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691
N-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488372
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-(9H-fluoren-9-yl)carbamic acid
CID 19874929
3-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]methyl]benzoic acid
CID 122029217

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 8541792) is 2-[benzyl(ethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide is CCN(CC(=O)Nc1c(C(C)C)cccc1C(C)C)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is VMTGHPSBKHNTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-6-25(15-19-11-8-7-9-12-19)16-22(26)24-23-20(17(2)3)13-10-14-21(23)18(4)5/h7-14,17-18H,6,15-16H2,1-5H3,(H,24,26).
What are the key properties of 2-[benzyl(ethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
2-[benzyl(ethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 352.52 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 8541792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).