1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide

C25H26N2O2 — CID 109047506

IUPAC1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(C(=O)N(CC)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O2/c1-3-26(19-20-11-7-5-8-12-20)24(28)21-15-17-22(18-16-21)25(29)27(4-2)23-13-9-6-10-14-23/h5-18H,3-4,19H2,1-2H3
InChIKeyYXRNLKFDYIMDNV-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.02
Rot. Bonds7

About 1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide

1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide (PubChem CID 109047506) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide
PubChem CID109047506
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(C(=O)N(CC)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O2/c1-3-26(19-20-11-7-5-8-12-20)24(28)21-15-17-22(18-16-21)25(29)27(4-2)23-13-9-6-10-14-23/h5-18H,3-4,19H2,1-2H3
InChIKeyYXRNLKFDYIMDNV-UHFFFAOYSA-N
XLogP5.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 110757236
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CID 9098551
4-(cyanomethyl)-N-ethyl-N-phenylbenzamide
CID 82179228
N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide
CID 4956291
N,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide
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4-ethoxy-N-ethyl-N-phenylbenzamide
CID 721190
N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-N-phenylbenzamide
CID 43333185
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CID 43452784
N-benzyl-N-ethyl-4-(propanoylamino)benzamide
CID 17257316
N-benzyl-4-bromo-N-phenylbenzamide
CID 15817231
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide (CID 109047506) is 1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide is CCN(Cc1ccccc1)C(=O)c1ccc(C(=O)N(CC)c2ccccc2)cc1.
What is the InChIKey of 1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide?
The InChIKey is YXRNLKFDYIMDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-3-26(19-20-11-7-5-8-12-20)24(28)21-15-17-22(18-16-21)25(29)27(4-2)23-13-9-6-10-14-23/h5-18H,3-4,19H2,1-2H3.
What are the key properties of 1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide?
1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide has a molecular weight of 386.50 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109047506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).