(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide

C22H29NO4 — CID 92647143

IUPAC(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCOc1ccc(CCNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1OC
InChIInChI=1S/C22H29NO4/c1-15(2)18-8-6-7-9-19(18)27-16(3)22(24)23-13-12-17-10-11-20(25-4)21(14-17)26-5/h6-11,14-16H,12-13H2,1-5H3,(H,23,24)/t16-/m0/s1
InChIKeyQKWNHBUAHSXNHY-INIZCTEOSA-N
MW371.48 g/mol
LogP3.95
Rot. Bonds9

About (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide

(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 92647143) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID92647143
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCOc1ccc(CCNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1OC
InChIInChI=1S/C22H29NO4/c1-15(2)18-8-6-7-9-19(18)27-16(3)22(24)23-13-12-17-10-11-20(25-4)21(14-17)26-5/h6-11,14-16H,12-13H2,1-5H3,(H,23,24)/t16-/m0/s1
InChIKeyQKWNHBUAHSXNHY-INIZCTEOSA-N
XLogP3.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133186748
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 94016454
(2S)-2-(3-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 7026894
(2R)-2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 2164093
(2R)-N-[3-(3-methoxyphenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 99952145
(2R)-2-(4-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 51532938
2-[(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxy-N-(2-phenoxyethyl)benzamide
CID 42561404
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide
CID 108949731
(2R)-2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 8624083
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide (CID 92647143) is (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide is COc1ccc(CCNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1OC.
What is the InChIKey of (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is QKWNHBUAHSXNHY-INIZCTEOSA-N. The full InChI is InChI=1S/C22H29NO4/c1-15(2)18-8-6-7-9-19(18)27-16(3)22(24)23-13-12-17-10-11-20(25-4)21(14-17)26-5/h6-11,14-16H,12-13H2,1-5H3,(H,23,24)/t16-/m0/s1.
What are the key properties of (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide?
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 371.48 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 92647143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).