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

C19H21F2NO4 — CID 113102492

IUPACN-[2-(3,4-difluorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCOc2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C19H21F2NO4/c1-24-17-7-3-13(11-18(17)25-2)4-8-19(23)22-9-10-26-14-5-6-15(20)16(21)12-14/h3,5-7,11-12H,4,8-10H2,1-2H3,(H,22,23)
InChIKeySDUATLBOFQYMMV-UHFFFAOYSA-N
MW365.38 g/mol
LogP3.11
Rot. Bonds9

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

N-[2-(3,4-difluorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 113102492) has the molecular formula C19H21F2NO4 and a molecular weight of 365.38 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID113102492
Molecular FormulaC19H21F2NO4
Molecular Weight365.38 g/mol
Exact Mass365.14
IUPAC NameN-[2-(3,4-difluorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCOc2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C19H21F2NO4/c1-24-17-7-3-13(11-18(17)25-2)4-8-19(23)22-9-10-26-14-5-6-15(20)16(21)12-14/h3,5-7,11-12H,4,8-10H2,1-2H3,(H,22,23)
InChIKeySDUATLBOFQYMMV-UHFFFAOYSA-N
XLogP3.11
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 53.11
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-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)butanamide
CID 46532046
N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28754050
N-[2-(3,4-difluorophenoxy)ethyl]pentanamide
CID 113102441
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide
CID 10471777
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 33155420
3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 39089240
4-amino-N-[2-(3,4-difluorophenoxy)ethyl]butanamide;hydrochloride
CID 119320552
N-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)propanamide
CID 34409690
3-(3,4-dimethoxyphenyl)-N-hexylpropanamide
CID 19220639

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-[2-(3,4-difluorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)propanamide (CID 113102492) is N-[2-(3,4-difluorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(3,4-difluorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-[2-(3,4-difluorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)NCCOc2ccc(F)c(F)c2)cc1OC.
What is the InChIKey of N-[2-(3,4-difluorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is SDUATLBOFQYMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO4/c1-24-17-7-3-13(11-18(17)25-2)4-8-19(23)22-9-10-26-14-5-6-15(20)16(21)12-14/h3,5-7,11-12H,4,8-10H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(3,4-difluorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)propanamide?
N-[2-(3,4-difluorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 365.38 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 113102492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).