N-[2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-2-(3-methylphenoxy)acetamide

C25H36N2O2 — CID 45155081

IUPACN-[2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-2-(3-methylphenoxy)acetamide
SMILESCCN(CC)C(CNC(=O)COc1cccc(C)c1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H36N2O2/c1-7-27(8-2)23(20-12-14-21(15-13-20)25(4,5)6)17-26-24(28)18-29-22-11-9-10-19(3)16-22/h9-16,23H,7-8,17-18H2,1-6H3,(H,26,28)
InChIKeyONVGGUGVFWILKS-UHFFFAOYSA-N
MW396.58 g/mol
LogP4.87
Rot. Bonds9

About N-[2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-2-(3-methylphenoxy)acetamide

N-[2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-2-(3-methylphenoxy)acetamide (PubChem CID 45155081) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-2-(3-methylphenoxy)acetamide
PubChem CID45155081
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC NameN-[2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-2-(3-methylphenoxy)acetamide
SMILESCCN(CC)C(CNC(=O)COc1cccc(C)c1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H36N2O2/c1-7-27(8-2)23(20-12-14-21(15-13-20)25(4,5)6)17-26-24(28)18-29-22-11-9-10-19(3)16-22/h9-16,23H,7-8,17-18H2,1-6H3,(H,26,28)
InChIKeyONVGGUGVFWILKS-UHFFFAOYSA-N
XLogP4.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3-methylphenoxy)acetamide
CID 16931206
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 26819049
N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide
CID 66177924
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 30521125
N-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide
CID 119998062
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 41318293
N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 120828955
N-[2-(diethylamino)-2-phenylethyl]-2-(4-ethylphenoxy)acetamide
CID 45155375
2-(3-tert-butylphenoxy)-N-(2-methylpropyl)acetamide
CID 112977536
2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 53283091
N-[2-(diethylamino)-2-phenylethyl]-2-(2-methylphenoxy)acetamide
CID 18167114
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 6938758

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-2-(3-methylphenoxy)acetamide (CID 45155081) is N-[2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-2-(3-methylphenoxy)acetamide is CCN(CC)C(CNC(=O)COc1cccc(C)c1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is ONVGGUGVFWILKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-7-27(8-2)23(20-12-14-21(15-13-20)25(4,5)6)17-26-24(28)18-29-22-11-9-10-19(3)16-22/h9-16,23H,7-8,17-18H2,1-6H3,(H,26,28).
What are the key properties of N-[2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-2-(3-methylphenoxy)acetamide?
N-[2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 396.58 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 45155081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).