N-[2,6-di(propan-2-yl)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide

C23H32N2O2 — CID 109000966

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
SMILESCOc1cccc(CCNCC(=O)Nc2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C23H32N2O2/c1-16(2)20-10-7-11-21(17(3)4)23(20)25-22(26)15-24-13-12-18-8-6-9-19(14-18)27-5/h6-11,14,16-17,24H,12-13,15H2,1-5H3,(H,25,26)
InChIKeyCNHYCOSDYJKLGJ-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.71
Rot. Bonds9

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

N-[2,6-di(propan-2-yl)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide (PubChem CID 109000966) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
PubChem CID109000966
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
SMILESCOc1cccc(CCNCC(=O)Nc2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C23H32N2O2/c1-16(2)20-10-7-11-21(17(3)4)23(20)25-22(26)15-24-13-12-18-8-6-9-19(14-18)27-5/h6-11,14,16-17,24H,12-13,15H2,1-5H3,(H,25,26)
InChIKeyCNHYCOSDYJKLGJ-UHFFFAOYSA-N
XLogP4.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000990
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000927
N-(2,3-dimethylphenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000898
N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119671524
2-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997173
N-[4-(diethylamino)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000949
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)acetamide
CID 108993195
2-[2-(3-methoxyphenyl)ethylamino]-1-morpholin-4-ylethanone
CID 108994199
N-[2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 112977430
methyl 4-chloro-3-[[2-[2-(3-methoxyphenyl)ethylamino]acetyl]amino]benzoate
CID 109000946
N-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 109025741
N-[2-(4-chlorophenyl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000854

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide (CID 109000966) is N-[2,6-di(propan-2-yl)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide is COc1cccc(CCNCC(=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-methoxyphenyl)ethylamino]acetamide?
The InChIKey is CNHYCOSDYJKLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-16(2)20-10-7-11-21(17(3)4)23(20)25-22(26)15-24-13-12-18-8-6-9-19(14-18)27-5/h6-11,14,16-17,24H,12-13,15H2,1-5H3,(H,25,26).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide has a molecular weight of 368.52 g/mol, XLogP of 4.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide is sourced from PubChem (CID 109000966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).