N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide

C21H27NO4 — CID 48586355

IUPACN-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide
SMILESCOc1ccc(CCCNC(=O)C(C)Oc2cccc(C)c2)cc1OC
InChIInChI=1S/C21H27NO4/c1-15-7-5-9-18(13-15)26-16(2)21(23)22-12-6-8-17-10-11-19(24-3)20(14-17)25-4/h5,7,9-11,13-14,16H,6,8,12H2,1-4H3,(H,22,23)
InChIKeyPIRWSBADCPOMKO-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.53
Rot. Bonds9

About N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide

N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide (PubChem CID 48586355) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide
PubChem CID48586355
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide
SMILESCOc1ccc(CCCNC(=O)C(C)Oc2cccc(C)c2)cc1OC
InChIInChI=1S/C21H27NO4/c1-15-7-5-9-18(13-15)26-16(2)21(23)22-12-6-8-17-10-11-19(24-3)20(14-17)25-4/h5,7,9-11,13-14,16H,6,8,12H2,1-4H3,(H,22,23)
InChIKeyPIRWSBADCPOMKO-UHFFFAOYSA-N
XLogP3.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 48586822
(2R)-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide
CID 28631512
(2R)-2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
CID 95091668
(2S)-2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
CID 99647029
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 132658160
(2S)-2-(3-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 7026894
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 21367574
(2R)-2-(3-chlorophenoxy)-N-[3-(3-methylphenyl)propyl]propanamide
CID 92677886
(2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 38451380
2-(2-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide
CID 132655789
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 43904782
(2R)-2-(4-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 51532938

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide (CID 48586355) is N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide is COc1ccc(CCCNC(=O)C(C)Oc2cccc(C)c2)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide?
The InChIKey is PIRWSBADCPOMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-15-7-5-9-18(13-15)26-16(2)21(23)22-12-6-8-17-10-11-19(24-3)20(14-17)25-4/h5,7,9-11,13-14,16H,6,8,12H2,1-4H3,(H,22,23).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide?
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 357.45 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 48586355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).