3-(3,4-diethoxyphenyl)-N-[[4-(diethylamino)phenyl]methyl]propanamide

C24H34N2O3 — CID 100527332

IUPAC3-(3,4-diethoxyphenyl)-N-[[4-(diethylamino)phenyl]methyl]propanamide
SMILESCCOc1ccc(CCC(=O)NCc2ccc(N(CC)CC)cc2)cc1OCC
InChIInChI=1S/C24H34N2O3/c1-5-26(6-2)21-13-9-20(10-14-21)18-25-24(27)16-12-19-11-15-22(28-7-3)23(17-19)29-8-4/h9-11,13-15,17H,5-8,12,16,18H2,1-4H3,(H,25,27)
InChIKeyUQELZRRTPSFYQD-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.58
Rot. Bonds12

About 3-(3,4-diethoxyphenyl)-N-[[4-(diethylamino)phenyl]methyl]propanamide

3-(3,4-diethoxyphenyl)-N-[[4-(diethylamino)phenyl]methyl]propanamide (PubChem CID 100527332) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-N-[[4-(diethylamino)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-N-[[4-(diethylamino)phenyl]methyl]propanamide
PubChem CID100527332
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name3-(3,4-diethoxyphenyl)-N-[[4-(diethylamino)phenyl]methyl]propanamide
SMILESCCOc1ccc(CCC(=O)NCc2ccc(N(CC)CC)cc2)cc1OCC
InChIInChI=1S/C24H34N2O3/c1-5-26(6-2)21-13-9-20(10-14-21)18-25-24(27)16-12-19-11-15-22(28-7-3)23(17-19)29-8-4/h9-11,13-15,17H,5-8,12,16,18H2,1-4H3,(H,25,27)
InChIKeyUQELZRRTPSFYQD-UHFFFAOYSA-N
XLogP4.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide
CID 108743920
3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 38019578
3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide
CID 92680043
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide
CID 58655197
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
CID 46478795
N-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide
CID 99839723
3-(3,4-diethoxyphenyl)propanamide
CID 28631811
3-(3-ethoxy-4-prop-2-enoxyphenyl)-N-ethylpropanamide
CID 58655109
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 16574764
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-N-[[4-(diethylamino)phenyl]methyl]propanamide?
The IUPAC name of 3-(3,4-diethoxyphenyl)-N-[[4-(diethylamino)phenyl]methyl]propanamide (CID 100527332) is 3-(3,4-diethoxyphenyl)-N-[[4-(diethylamino)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-N-[[4-(diethylamino)phenyl]methyl]propanamide?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-N-[[4-(diethylamino)phenyl]methyl]propanamide is CCOc1ccc(CCC(=O)NCc2ccc(N(CC)CC)cc2)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-N-[[4-(diethylamino)phenyl]methyl]propanamide?
The InChIKey is UQELZRRTPSFYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-5-26(6-2)21-13-9-20(10-14-21)18-25-24(27)16-12-19-11-15-22(28-7-3)23(17-19)29-8-4/h9-11,13-15,17H,5-8,12,16,18H2,1-4H3,(H,25,27).
What are the key properties of 3-(3,4-diethoxyphenyl)-N-[[4-(diethylamino)phenyl]methyl]propanamide?
3-(3,4-diethoxyphenyl)-N-[[4-(diethylamino)phenyl]methyl]propanamide has a molecular weight of 398.55 g/mol, XLogP of 4.58, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-N-[[4-(diethylamino)phenyl]methyl]propanamide is sourced from PubChem (CID 100527332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).