N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-phenylpentanamide

C22H29NO3 — CID 55383274

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-phenylpentanamide
SMILESCCCC(C(=O)N(CC)Cc1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C22H29NO3/c1-5-10-19(18-11-8-7-9-12-18)22(24)23(6-2)16-17-13-14-20(25-3)21(15-17)26-4/h7-9,11-15,19H,5-6,10,16H2,1-4H3
InChIKeyBWUIGYKQZJBDMM-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.64
Rot. Bonds9

About N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-phenylpentanamide

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-phenylpentanamide (PubChem CID 55383274) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-phenylpentanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-phenylpentanamide
PubChem CID55383274
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-phenylpentanamide
SMILESCCCC(C(=O)N(CC)Cc1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C22H29NO3/c1-5-10-19(18-11-8-7-9-12-18)22(24)23(6-2)16-17-13-14-20(25-3)21(15-17)26-4/h7-9,11-15,19H,5-6,10,16H2,1-4H3
InChIKeyBWUIGYKQZJBDMM-UHFFFAOYSA-N
XLogP4.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide
CID 86906891
2-chloro-N-[3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 55383431
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1-phenylethyl)benzamide
CID 42695710
N-(anthracen-9-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylbutanamide
CID 42697713
2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide
CID 119271670
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133161733
dimethyl 4-[[(3-acetyloxy-2-phenylpropanoyl)-ethylamino]methyl]benzene-1,2-dicarboxylate
CID 171990094
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 9018288
3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide
CID 12722073
3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
CID 22684522
N-[1-[(3,4-dimethoxyphenyl)methyl-ethylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 55383313

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-phenylpentanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-phenylpentanamide (CID 55383274) is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-phenylpentanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-phenylpentanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-phenylpentanamide is CCCC(C(=O)N(CC)Cc1ccc(OC)c(OC)c1)c1ccccc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-phenylpentanamide?
The InChIKey is BWUIGYKQZJBDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-5-10-19(18-11-8-7-9-12-18)22(24)23(6-2)16-17-13-14-20(25-3)21(15-17)26-4/h7-9,11-15,19H,5-6,10,16H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-phenylpentanamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-phenylpentanamide has a molecular weight of 355.48 g/mol, XLogP of 4.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-phenylpentanamide is sourced from PubChem (CID 55383274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).