N,N-dibenzyl-3,4-diethoxybenzamide

C25H27NO3 — CID 73441726

IUPACN,N-dibenzyl-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OCC
InChIInChI=1S/C25H27NO3/c1-3-28-23-16-15-22(17-24(23)29-4-2)25(27)26(18-20-11-7-5-8-12-20)19-21-13-9-6-10-14-21/h5-17H,3-4,18-19H2,1-2H3
InChIKeyZCGPBFPOSPNFIB-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.33
Rot. Bonds9

About N,N-dibenzyl-3,4-diethoxybenzamide

N,N-dibenzyl-3,4-diethoxybenzamide (PubChem CID 73441726) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is N,N-dibenzyl-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN,N-dibenzyl-3,4-diethoxybenzamide
PubChem CID73441726
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC NameN,N-dibenzyl-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OCC
InChIInChI=1S/C25H27NO3/c1-3-28-23-16-15-22(17-24(23)29-4-2)25(27)26(18-20-11-7-5-8-12-20)19-21-13-9-6-10-14-21/h5-17H,3-4,18-19H2,1-2H3
InChIKeyZCGPBFPOSPNFIB-UHFFFAOYSA-N
XLogP5.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibenzyl-3-ethoxy-4-methoxybenzamide
CID 55334507
N-benzyl-3,4-diethoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135875437
3-amino-N-benzyl-4-ethoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 113226067
N-benzyl-3-bromo-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911773
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 55326340
1,1-dibenzyl-3-[2-(3,4-diethoxyphenyl)ethyl]thiourea
CID 4135206
N-benzyl-3-bromo-N-ethyl-4-methoxybenzamide
CID 60660630
N,N-dibenzyl-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993362
4-(dibenzylcarbamoyl)benzoic acid
CID 67563328
N-benzyl-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 29260956
N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 31798331

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3,4-diethoxybenzamide?
The IUPAC name of N,N-dibenzyl-3,4-diethoxybenzamide (CID 73441726) is N,N-dibenzyl-3,4-diethoxybenzamide.
What is the SMILES notation for N,N-dibenzyl-3,4-diethoxybenzamide?
The canonical SMILES for N,N-dibenzyl-3,4-diethoxybenzamide is CCOc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OCC.
What is the InChIKey of N,N-dibenzyl-3,4-diethoxybenzamide?
The InChIKey is ZCGPBFPOSPNFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-3-28-23-16-15-22(17-24(23)29-4-2)25(27)26(18-20-11-7-5-8-12-20)19-21-13-9-6-10-14-21/h5-17H,3-4,18-19H2,1-2H3.
What are the key properties of N,N-dibenzyl-3,4-diethoxybenzamide?
N,N-dibenzyl-3,4-diethoxybenzamide has a molecular weight of 389.50 g/mol, XLogP of 5.33, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3,4-diethoxybenzamide is sourced from PubChem (CID 73441726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).