1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide

C26H30N4O2 — CID 35617422

IUPAC1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
SMILESCN(CCNC(=O)c1ccc(C(=O)NCCN(C)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C26H30N4O2/c1-29(23-9-5-3-6-10-23)19-17-27-25(31)21-13-15-22(16-14-21)26(32)28-18-20-30(2)24-11-7-4-8-12-24/h3-16H,17-20H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyCRMUCPHGSRGIOA-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.42
Rot. Bonds10

About 1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide

1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide (PubChem CID 35617422) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
PubChem CID35617422
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
SMILESCN(CCNC(=O)c1ccc(C(=O)NCCN(C)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C26H30N4O2/c1-29(23-9-5-3-6-10-23)19-17-27-25(31)21-13-15-22(16-14-21)26(32)28-18-20-30(2)24-11-7-4-8-12-24/h3-16H,17-20H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyCRMUCPHGSRGIOA-UHFFFAOYSA-N
XLogP3.42
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
4-(difluoromethoxy)-N-[2-(N-methylanilino)ethyl]benzamide
CID 25394977
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
N-[2-[2-(N-methylanilino)ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 36941546
N-[2-(N-methylanilino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24607474
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898
6-bromo-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 66462506
methyl 4-[3-(N-methylanilino)propylcarbamoyl]benzoate
CID 27746721
4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 81295152
N-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 25395257
N-[2-(N-methylanilino)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 24665771
2,4,5-trimethyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 100710814

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide (CID 35617422) is 1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide is CN(CCNC(=O)c1ccc(C(=O)NCCN(C)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide?
The InChIKey is CRMUCPHGSRGIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-29(23-9-5-3-6-10-23)19-17-27-25(31)21-13-15-22(16-14-21)26(32)28-18-20-30(2)24-11-7-4-8-12-24/h3-16H,17-20H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide?
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide has a molecular weight of 430.55 g/mol, XLogP of 3.42, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 35617422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).