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

C23H31NO5 — CID 99949595

IUPAC3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc(CCC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1OCC
InChIInChI=1S/C23H31NO5/c1-6-28-20-11-8-17(14-22(20)29-7-2)9-13-23(25)24-16(3)18-10-12-19(26-4)21(15-18)27-5/h8,10-12,14-16H,6-7,9,13H2,1-5H3,(H,24,25)/t16-/m0/s1
InChIKeyULXXQTYIHMENTB-INIZCTEOSA-N
MW401.50 g/mol
LogP4.31
Rot. Bonds11

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

3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide (PubChem CID 99949595) has the molecular formula C23H31NO5 and a molecular weight of 401.50 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide
PubChem CID99949595
Molecular FormulaC23H31NO5
Molecular Weight401.50 g/mol
Exact Mass401.22
IUPAC Name3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc(CCC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1OCC
InChIInChI=1S/C23H31NO5/c1-6-28-20-11-8-17(14-22(20)29-7-2)9-13-23(25)24-16(3)18-10-12-19(26-4)21(15-18)27-5/h8,10-12,14-16H,6-7,9,13H2,1-5H3,(H,24,25)/t16-/m0/s1
InChIKeyULXXQTYIHMENTB-INIZCTEOSA-N
XLogP4.31
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 30389269
3-(4-cyanophenyl)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide
CID 46414728
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 43886279
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55595817
3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide
CID 19221699
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 99950807
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127122091
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
CID 78771296
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
2-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-methylpentanamide
CID 78773055

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide (CID 99949595) is 3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide is CCOc1ccc(CCC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is ULXXQTYIHMENTB-INIZCTEOSA-N. The full InChI is InChI=1S/C23H31NO5/c1-6-28-20-11-8-17(14-22(20)29-7-2)9-13-23(25)24-16(3)18-10-12-19(26-4)21(15-18)27-5/h8,10-12,14-16H,6-7,9,13H2,1-5H3,(H,24,25)/t16-/m0/s1.
What are the key properties of 3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide?
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 401.50 g/mol, XLogP of 4.31, 11 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-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 99949595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).