N,N-dibenzyl-3-(2,6-dimethoxyphenyl)propanamide

C25H27NO3 — CID 100789556

IUPACN,N-dibenzyl-3-(2,6-dimethoxyphenyl)propanamide
SMILESCOc1cccc(OC)c1CCC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H27NO3/c1-28-23-14-9-15-24(29-2)22(23)16-17-25(27)26(18-20-10-5-3-6-11-20)19-21-12-7-4-8-13-21/h3-15H,16-19H2,1-2H3
InChIKeyJEOCYETZFISHKS-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.87
Rot. Bonds9

About N,N-dibenzyl-3-(2,6-dimethoxyphenyl)propanamide

N,N-dibenzyl-3-(2,6-dimethoxyphenyl)propanamide (PubChem CID 100789556) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is N,N-dibenzyl-3-(2,6-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN,N-dibenzyl-3-(2,6-dimethoxyphenyl)propanamide
PubChem CID100789556
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC NameN,N-dibenzyl-3-(2,6-dimethoxyphenyl)propanamide
SMILESCOc1cccc(OC)c1CCC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H27NO3/c1-28-23-14-9-15-24(29-2)22(23)16-17-25(27)26(18-20-10-5-3-6-11-20)19-21-12-7-4-8-13-21/h3-15H,16-19H2,1-2H3
InChIKeyJEOCYETZFISHKS-UHFFFAOYSA-N
XLogP4.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.87
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
N',N'-dibenzylbutanediamide
CID 101024490
(2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide
CID 40742883
N-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109022877
N-benzyl-N-butan-2-yl-3-(2,3-dimethoxyphenyl)propanamide
CID 55365562
N-benzyl-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 78762319
1-(2,6-dimethoxyphenyl)pentan-3-one
CID 116811041
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
N-benzyl-N-ethyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334734
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869
N-(2-aminoethyl)-2-(2,6-dimethoxyphenyl)-N-(2-phenylethyl)acetamide
CID 120885592
3-(2,6-dimethoxyphenyl)-N-(2-methoxyphenyl)propanamide
CID 100789518

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-(2,6-dimethoxyphenyl)propanamide?
The IUPAC name of N,N-dibenzyl-3-(2,6-dimethoxyphenyl)propanamide (CID 100789556) is N,N-dibenzyl-3-(2,6-dimethoxyphenyl)propanamide.
What is the SMILES notation for N,N-dibenzyl-3-(2,6-dimethoxyphenyl)propanamide?
The canonical SMILES for N,N-dibenzyl-3-(2,6-dimethoxyphenyl)propanamide is COc1cccc(OC)c1CCC(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-3-(2,6-dimethoxyphenyl)propanamide?
The InChIKey is JEOCYETZFISHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-28-23-14-9-15-24(29-2)22(23)16-17-25(27)26(18-20-10-5-3-6-11-20)19-21-12-7-4-8-13-21/h3-15H,16-19H2,1-2H3.
What are the key properties of N,N-dibenzyl-3-(2,6-dimethoxyphenyl)propanamide?
N,N-dibenzyl-3-(2,6-dimethoxyphenyl)propanamide has a molecular weight of 389.50 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-(2,6-dimethoxyphenyl)propanamide is sourced from PubChem (CID 100789556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).