2-(2-tert-butylphenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide

C21H26ClNO3 — CID 53266468

IUPAC2-(2-tert-butylphenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(C)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C21H26ClNO3/c1-13-11-17(19(25-6)12-16(13)22)23-20(24)14(2)26-18-10-8-7-9-15(18)21(3,4)5/h7-12,14H,1-6H3,(H,23,24)
InChIKeyIGJQPNUSWSPOJJ-UHFFFAOYSA-N
MW375.90 g/mol
LogP5.36
Rot. Bonds5

About 2-(2-tert-butylphenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide

2-(2-tert-butylphenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide (PubChem CID 53266468) has the molecular formula C21H26ClNO3 and a molecular weight of 375.90 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
PubChem CID53266468
Molecular FormulaC21H26ClNO3
Molecular Weight375.90 g/mol
Exact Mass375.16
IUPAC Name2-(2-tert-butylphenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(C)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C21H26ClNO3/c1-13-11-17(19(25-6)12-16(13)22)23-20(24)14(2)26-18-10-8-7-9-15(18)21(3,4)5/h7-12,14H,1-6H3,(H,23,24)
InChIKeyIGJQPNUSWSPOJJ-UHFFFAOYSA-N
XLogP5.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 53266580
2-(2-tert-butylphenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 53266361
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1300506
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 53267001
(2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propanamide
CID 9181052
[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954536
(2R)-2-(4-bromophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 7376119
(2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 38916474
2-(2-tert-butylphenoxy)-N-(4-iodo-2-methylphenyl)propanamide
CID 53266571
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 46771651
[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 8540414
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43905902

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide (CID 53266468) is 2-(2-tert-butylphenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide is COc1cc(Cl)c(C)cc1NC(=O)C(C)Oc1ccccc1C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
The InChIKey is IGJQPNUSWSPOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO3/c1-13-11-17(19(25-6)12-16(13)22)23-20(24)14(2)26-18-10-8-7-9-15(18)21(3,4)5/h7-12,14H,1-6H3,(H,23,24).
What are the key properties of 2-(2-tert-butylphenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
2-(2-tert-butylphenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide has a molecular weight of 375.90 g/mol, XLogP of 5.36, 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-(4-chloro-2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 53266468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).