N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]-2-(2-methylphenyl)acetamide

C25H34N2O2 — CID 113063126

IUPACN-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]-2-(2-methylphenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccccc1C)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C25H34N2O2/c1-17(2)22-12-9-13-23(18(3)4)25(22)27(20(6)28)15-14-26-24(29)16-21-11-8-7-10-19(21)5/h7-13,17-18H,14-16H2,1-6H3,(H,26,29)
InChIKeyLZJFRSYEUXWCCX-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.95
Rot. Bonds8

About N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]-2-(2-methylphenyl)acetamide

N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]-2-(2-methylphenyl)acetamide (PubChem CID 113063126) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]-2-(2-methylphenyl)acetamide
PubChem CID113063126
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC NameN-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]-2-(2-methylphenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccccc1C)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C25H34N2O2/c1-17(2)22-12-9-13-23(18(3)4)25(22)27(20(6)28)15-14-26-24(29)16-21-11-8-7-10-19(21)5/h7-13,17-18H,14-16H2,1-6H3,(H,26,29)
InChIKeyLZJFRSYEUXWCCX-UHFFFAOYSA-N
XLogP4.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113058904
N-[2-(N-acetyl-2-methyl-6-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113058958
N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]pentanamide
CID 113063100
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113126259
N-[2-(N-acetyl-2-tert-butylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113059053
N-[2-(N-acetyl-2,6-dimethylanilino)ethyl]propanamide
CID 113058073
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113178572
N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide
CID 113069558
3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113124832
N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide
CID 113057598
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-methylphenyl)acetamide
CID 113052961
N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113063961

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]-2-(2-methylphenyl)acetamide (CID 113063126) is N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]-2-(2-methylphenyl)acetamide is CC(=O)N(CCNC(=O)Cc1ccccc1C)c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]-2-(2-methylphenyl)acetamide?
The InChIKey is LZJFRSYEUXWCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-17(2)22-12-9-13-23(18(3)4)25(22)27(20(6)28)15-14-26-24(29)16-21-11-8-7-10-19(21)5/h7-13,17-18H,14-16H2,1-6H3,(H,26,29).
What are the key properties of N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]-2-(2-methylphenyl)acetamide?
N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]-2-(2-methylphenyl)acetamide has a molecular weight of 394.56 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 113063126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).