3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide

C25H35NO5 — CID 30389269

IUPAC3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc(CCC(=O)N[C@H](C)c2ccc(OCC)c(OCC)c2)cc1OCC
InChIInChI=1S/C25H35NO5/c1-6-28-21-13-10-19(16-23(21)30-8-3)11-15-25(27)26-18(5)20-12-14-22(29-7-2)24(17-20)31-9-4/h10,12-14,16-18H,6-9,11,15H2,1-5H3,(H,26,27)/t18-/m1/s1
InChIKeyPKDMHDJUNCGKND-GOSISDBHSA-N
MW429.56 g/mol
LogP5.09
Rot. Bonds13

About 3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide

3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide (PubChem CID 30389269) has the molecular formula C25H35NO5 and a molecular weight of 429.56 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
PubChem CID30389269
Molecular FormulaC25H35NO5
Molecular Weight429.56 g/mol
Exact Mass429.25
IUPAC Name3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc(CCC(=O)N[C@H](C)c2ccc(OCC)c(OCC)c2)cc1OCC
InChIInChI=1S/C25H35NO5/c1-6-28-21-13-10-19(16-23(21)30-8-3)11-15-25(27)26-18(5)20-12-14-22(29-7-2)24(17-20)31-9-4/h10,12-14,16-18H,6-9,11,15H2,1-5H3,(H,26,27)/t18-/m1/s1
InChIKeyPKDMHDJUNCGKND-GOSISDBHSA-N
XLogP5.09
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 99949595
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
CID 78771296
3-(4-cyanophenyl)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide
CID 46414728
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 38005769
3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide
CID 92680043
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119267799
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119682959
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
CID 119683000
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-phenylsulfanylpropanamide
CID 9437337

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide (CID 30389269) is 3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide is CCOc1ccc(CCC(=O)N[C@H](C)c2ccc(OCC)c(OCC)c2)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide?
The InChIKey is PKDMHDJUNCGKND-GOSISDBHSA-N. The full InChI is InChI=1S/C25H35NO5/c1-6-28-21-13-10-19(16-23(21)30-8-3)11-15-25(27)26-18(5)20-12-14-22(29-7-2)24(17-20)31-9-4/h10,12-14,16-18H,6-9,11,15H2,1-5H3,(H,26,27)/t18-/m1/s1.
What are the key properties of 3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide?
3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide has a molecular weight of 429.56 g/mol, XLogP of 5.09, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 30389269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).