2-(2-tert-butylphenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide

C20H24ClNO3 — CID 53266361

IUPAC2-(2-tert-butylphenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Oc2ccccc2C(C)(C)C)cc1Cl
InChIInChI=1S/C20H24ClNO3/c1-13(25-17-9-7-6-8-15(17)20(2,3)4)19(23)22-14-10-11-18(24-5)16(21)12-14/h6-13H,1-5H3,(H,22,23)
InChIKeySKPYUWFSTYEQCO-UHFFFAOYSA-N
MW361.87 g/mol
LogP5.05
Rot. Bonds5

About 2-(2-tert-butylphenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide

2-(2-tert-butylphenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide (PubChem CID 53266361) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide
PubChem CID53266361
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name2-(2-tert-butylphenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Oc2ccccc2C(C)(C)C)cc1Cl
InChIInChI=1S/C20H24ClNO3/c1-13(25-17-9-7-6-8-15(17)20(2,3)4)19(23)22-14-10-11-18(24-5)16(21)12-14/h6-13H,1-5H3,(H,22,23)
InChIKeySKPYUWFSTYEQCO-UHFFFAOYSA-N
XLogP5.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.87
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butylphenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 53266468
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 925231
2-(2-tert-butylphenoxy)-N-(3-methylphenyl)propanamide
CID 53266482
N-(3-chloro-4-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953719
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 40745330
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266530
[(2S)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 8886294
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110438825
N-(4-acetylphenyl)-2-(2-tert-butylphenoxy)propanamide
CID 53266435
2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 2953462
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)propanamide
CID 8956892
N-(3-chloro-4-methoxyphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 55422385

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide (CID 53266361) is 2-(2-tert-butylphenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)Oc2ccccc2C(C)(C)C)cc1Cl.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide?
The InChIKey is SKPYUWFSTYEQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-13(25-17-9-7-6-8-15(17)20(2,3)4)19(23)22-14-10-11-18(24-5)16(21)12-14/h6-13H,1-5H3,(H,22,23).
What are the key properties of 2-(2-tert-butylphenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide?
2-(2-tert-butylphenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide has a molecular weight of 361.87 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 53266361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).