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

C22H29NO4 — CID 33155420

IUPAC3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCc2ccc(OC(C)C)cc2)cc1OC
InChIInChI=1S/C22H29NO4/c1-16(2)27-19-9-5-17(6-10-19)13-14-23-22(24)12-8-18-7-11-20(25-3)21(15-18)26-4/h5-7,9-11,15-16H,8,12-14H2,1-4H3,(H,23,24)
InChIKeyRUZNSXHPQXTPKS-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.78
Rot. Bonds10

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

3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide (PubChem CID 33155420) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
PubChem CID33155420
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCc2ccc(OC(C)C)cc2)cc1OC
InChIInChI=1S/C22H29NO4/c1-16(2)27-19-9-5-17(6-10-19)13-14-23-22(24)12-8-18-7-11-20(25-3)21(15-18)26-4/h5-7,9-11,15-16H,8,12-14H2,1-4H3,(H,23,24)
InChIKeyRUZNSXHPQXTPKS-UHFFFAOYSA-N
XLogP3.78
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 38501975
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 102585862
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 2950024
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide
CID 109025818
(4S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-5-[(4-methoxyphenyl)methoxy]pentanamide
CID 11122591
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]prop-2-enamide
CID 33162225
3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 40730942

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide (CID 33155420) is 3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide is COc1ccc(CCC(=O)NCCc2ccc(OC(C)C)cc2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide?
The InChIKey is RUZNSXHPQXTPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-16(2)27-19-9-5-17(6-10-19)13-14-23-22(24)12-8-18-7-11-20(25-3)21(15-18)26-4/h5-7,9-11,15-16H,8,12-14H2,1-4H3,(H,23,24).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide has a molecular weight of 371.48 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide is sourced from PubChem (CID 33155420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).