1-N,3-N-bis(diethylcarbamoyl)benzene-1,3-dicarboxamide

C18H26N4O4 — CID 101037519

IUPAC1-N,3-N-bis(diethylcarbamoyl)benzene-1,3-dicarboxamide
SMILESCCN(CC)C(=O)NC(=O)c1cccc(C(=O)NC(=O)N(CC)CC)c1
InChIInChI=1S/C18H26N4O4/c1-5-21(6-2)17(25)19-15(23)13-10-9-11-14(12-13)16(24)20-18(26)22(7-3)8-4/h9-12H,5-8H2,1-4H3,(H,19,23,25)(H,20,24,26)
InChIKeyFIKMQKMRLYCVEE-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.07
Rot. Bonds6

About 1-N,3-N-bis(diethylcarbamoyl)benzene-1,3-dicarboxamide

1-N,3-N-bis(diethylcarbamoyl)benzene-1,3-dicarboxamide (PubChem CID 101037519) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-N,3-N-bis(diethylcarbamoyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(diethylcarbamoyl)benzene-1,3-dicarboxamide
PubChem CID101037519
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name1-N,3-N-bis(diethylcarbamoyl)benzene-1,3-dicarboxamide
SMILESCCN(CC)C(=O)NC(=O)c1cccc(C(=O)NC(=O)N(CC)CC)c1
InChIInChI=1S/C18H26N4O4/c1-5-21(6-2)17(25)19-15(23)13-10-9-11-14(12-13)16(24)20-18(26)22(7-3)8-4/h9-12H,5-8H2,1-4H3,(H,19,23,25)(H,20,24,26)
InChIKeyFIKMQKMRLYCVEE-UHFFFAOYSA-N
XLogP2.07
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,3-N-diethyl-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055819
1-N-(2,6-dichlorophenyl)-3-N,3-N-diethylbenzene-1,3-dicarboxamide
CID 109055921
3-(ethylcarbamoylcarbamoyl)benzoic acid
CID 174419235
N-(diethylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide
CID 4955234
3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054218
3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
CID 47267566
3-(3-carbamothioylphenyl)-1,1-diethylurea
CID 79162256
N-[2-(diethylamino)-2-oxoethyl]-3-sulfanylbenzamide
CID 107034454
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
3-N,3-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055375
3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055871
3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050312

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(diethylcarbamoyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(diethylcarbamoyl)benzene-1,3-dicarboxamide (CID 101037519) is 1-N,3-N-bis(diethylcarbamoyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(diethylcarbamoyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(diethylcarbamoyl)benzene-1,3-dicarboxamide is CCN(CC)C(=O)NC(=O)c1cccc(C(=O)NC(=O)N(CC)CC)c1.
What is the InChIKey of 1-N,3-N-bis(diethylcarbamoyl)benzene-1,3-dicarboxamide?
The InChIKey is FIKMQKMRLYCVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-5-21(6-2)17(25)19-15(23)13-10-9-11-14(12-13)16(24)20-18(26)22(7-3)8-4/h9-12H,5-8H2,1-4H3,(H,19,23,25)(H,20,24,26).
What are the key properties of 1-N,3-N-bis(diethylcarbamoyl)benzene-1,3-dicarboxamide?
1-N,3-N-bis(diethylcarbamoyl)benzene-1,3-dicarboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(diethylcarbamoyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 101037519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).