(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide

C29H33NO3 — CID 92675891

IUPAC(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1ccccc1O[C@H](C)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C29H33NO3/c1-19(2)25-12-7-8-13-26(25)33-20(3)28(32)30-24-11-9-10-22(18-24)27(31)21-14-16-23(17-15-21)29(4,5)6/h7-20H,1-6H3,(H,30,32)/t20-/m1/s1
InChIKeyWZSNRONOQGHXAV-HXUWFJFHSA-N
MW443.59 g/mol
LogP6.74
Rot. Bonds7

About (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide

(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 92675891) has the molecular formula C29H33NO3 and a molecular weight of 443.59 g/mol. Its IUPAC name is (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID92675891
Molecular FormulaC29H33NO3
Molecular Weight443.59 g/mol
Exact Mass443.25
IUPAC Name(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1ccccc1O[C@H](C)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C29H33NO3/c1-19(2)25-12-7-8-13-26(25)33-20(3)28(32)30-24-11-9-10-22(18-24)27(31)21-14-16-23(17-15-21)29(4,5)6/h7-20H,1-6H3,(H,30,32)/t20-/m1/s1
InChIKeyWZSNRONOQGHXAV-HXUWFJFHSA-N
XLogP6.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-chlorophenoxy)propanamide
CID 43908425
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 46778387
(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-methylphenoxy)propanamide
CID 94012105
(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 94016671
N-[4-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 17235107
3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 17197514
(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92681030
3-[2-(2-bromophenoxy)propanoylamino]benzoic acid
CID 17341904
(2R)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636193
(2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636194
N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide
CID 19062960
N-tert-butyl-3-[2-(2-methylphenoxy)propanoylamino]benzamide
CID 43887288

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide (CID 92675891) is (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide is CC(C)c1ccccc1O[C@H](C)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is WZSNRONOQGHXAV-HXUWFJFHSA-N. The full InChI is InChI=1S/C29H33NO3/c1-19(2)25-12-7-8-13-26(25)33-20(3)28(32)30-24-11-9-10-22(18-24)27(31)21-14-16-23(17-15-21)29(4,5)6/h7-20H,1-6H3,(H,30,32)/t20-/m1/s1.
What are the key properties of (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide?
(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 443.59 g/mol, XLogP of 6.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 92675891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).