(2R)-2-(4-tert-butylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide

C22H27NO3 — CID 26075067

IUPAC(2R)-2-(4-tert-butylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H27NO3/c1-6-15-25-19-13-9-18(10-14-19)23-21(24)16(2)26-20-11-7-17(8-12-20)22(3,4)5/h6-14,16H,1,15H2,2-5H3,(H,23,24)/t16-/m1/s1
InChIKeySPVIBQDDOUWIEG-MRXNPFEDSA-N
MW353.46 g/mol
LogP4.95
Rot. Bonds7

About (2R)-2-(4-tert-butylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide

(2R)-2-(4-tert-butylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide (PubChem CID 26075067) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is (2R)-2-(4-tert-butylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-tert-butylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
PubChem CID26075067
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name(2R)-2-(4-tert-butylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H27NO3/c1-6-15-25-19-13-9-18(10-14-19)23-21(24)16(2)26-20-11-7-17(8-12-20)22(3,4)5/h6-14,16H,1,15H2,2-5H3,(H,23,24)/t16-/m1/s1
InChIKeySPVIBQDDOUWIEG-MRXNPFEDSA-N
XLogP4.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-methoxyphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 9234546
2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide
CID 4952534
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
CID 7703328
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 17046295
(2S)-2-(3-chlorophenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 30395136
2-(2,6-dimethylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 4958570
N-[4-[2-(4-tert-butylphenoxy)propanoylamino]phenyl]butanamide
CID 17202560
4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide
CID 43888226
N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266599
propan-2-yl 4-[2-(4-tert-butylphenoxy)propanoylamino]benzoate
CID 19203456
2-amino-3-methyl-N-(4-prop-2-enoxyphenyl)butanamide
CID 112501590

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide?
The IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide (CID 26075067) is (2R)-2-(4-tert-butylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-tert-butylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-tert-butylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide is C=CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of (2R)-2-(4-tert-butylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide?
The InChIKey is SPVIBQDDOUWIEG-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27NO3/c1-6-15-25-19-13-9-18(10-14-19)23-21(24)16(2)26-20-11-7-17(8-12-20)22(3,4)5/h6-14,16H,1,15H2,2-5H3,(H,23,24)/t16-/m1/s1.
What are the key properties of (2R)-2-(4-tert-butylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide?
(2R)-2-(4-tert-butylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide has a molecular weight of 353.46 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-tert-butylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide is sourced from PubChem (CID 26075067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).