N-[4-[1-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]phenyl]propanamide

C23H30N2O3 — CID 55657683

IUPACN-[4-[1-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H30N2O3/c1-6-21(26)25-19-11-7-17(8-12-19)16(2)24-22(27)15-28-20-13-9-18(10-14-20)23(3,4)5/h7-14,16H,6,15H2,1-5H3,(H,24,27)(H,25,26)
InChIKeyNJUGDIBIUYVRKT-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.59
Rot. Bonds7

About N-[4-[1-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]phenyl]propanamide

N-[4-[1-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]phenyl]propanamide (PubChem CID 55657683) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[4-[1-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[1-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]phenyl]propanamide
PubChem CID55657683
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[4-[1-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H30N2O3/c1-6-21(26)25-19-11-7-17(8-12-19)16(2)24-22(27)15-28-20-13-9-18(10-14-20)23(3,4)5/h7-14,16H,6,15H2,1-5H3,(H,24,27)(H,25,26)
InChIKeyNJUGDIBIUYVRKT-UHFFFAOYSA-N
XLogP4.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide
CID 58640419
2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2462788
N-[1-(4-tert-butylphenyl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 132655775
2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329495
4-tert-butyl-N-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]benzamide
CID 9252674
2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25352795
2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4945067
N-[4-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]phenyl]propanamide
CID 55657686
2-(4-tert-butylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190699
methyl N-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate
CID 60522763
methyl N-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]carbamate
CID 94537723
methyl N-[4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate
CID 47059941

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]phenyl]propanamide?
The IUPAC name of N-[4-[1-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]phenyl]propanamide (CID 55657683) is N-[4-[1-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[1-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]phenyl]propanamide?
The canonical SMILES for N-[4-[1-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[4-[1-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]phenyl]propanamide?
The InChIKey is NJUGDIBIUYVRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-6-21(26)25-19-11-7-17(8-12-19)16(2)24-22(27)15-28-20-13-9-18(10-14-20)23(3,4)5/h7-14,16H,6,15H2,1-5H3,(H,24,27)(H,25,26).
What are the key properties of N-[4-[1-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]phenyl]propanamide?
N-[4-[1-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]phenyl]propanamide has a molecular weight of 382.50 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]phenyl]propanamide is sourced from PubChem (CID 55657683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).