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

C21H27NO5 — CID 48586822

IUPACN-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NCCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H27NO5/c1-15(27-18-10-8-17(24-2)9-11-18)21(23)22-13-5-6-16-7-12-19(25-3)20(14-16)26-4/h7-12,14-15H,5-6,13H2,1-4H3,(H,22,23)
InChIKeyUIOGBDAONWDSAP-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.23
Rot. Bonds10

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

N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide (PubChem CID 48586822) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
PubChem CID48586822
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC NameN-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NCCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H27NO5/c1-15(27-18-10-8-17(24-2)9-11-18)21(23)22-13-5-6-16-7-12-19(25-3)20(14-16)26-4/h7-12,14-15H,5-6,13H2,1-4H3,(H,22,23)
InChIKeyUIOGBDAONWDSAP-UHFFFAOYSA-N
XLogP3.23
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(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-(3-methylphenoxy)propanamide
CID 48586355
(2R)-2-(4-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 51532938
(2R)-2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 8624083
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 132653933
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 132658160
(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 7415114
(2S)-N-[3-(4-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100566149
2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659526
(2R)-2-(4-fluorophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 95172603
2-(4-bromophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 132659559

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide (CID 48586822) is N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide is COc1ccc(OC(C)C(=O)NCCCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide?
The InChIKey is UIOGBDAONWDSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-15(27-18-10-8-17(24-2)9-11-18)21(23)22-13-5-6-16-7-12-19(25-3)20(14-16)26-4/h7-12,14-15H,5-6,13H2,1-4H3,(H,22,23).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide?
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide has a molecular weight of 373.45 g/mol, XLogP of 3.23, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 48586822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).