4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide

C21H26N2O3 — CID 109048416

IUPAC4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-5-23(6-2)21(25)17-9-7-16(8-10-17)20(24)22-18-11-13-19(14-12-18)26-15(3)4/h7-15H,5-6H2,1-4H3,(H,22,24)
InChIKeyYIPGEUSFMRMZEI-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.21
Rot. Bonds7

About 4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide

4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide (PubChem CID 109048416) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
PubChem CID109048416
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-5-23(6-2)21(25)17-9-7-16(8-10-17)20(24)22-18-11-13-19(14-12-18)26-15(3)4/h7-15H,5-6H2,1-4H3,(H,22,24)
InChIKeyYIPGEUSFMRMZEI-UHFFFAOYSA-N
XLogP4.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048413
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048429
4-(methylamino)-N-(4-propan-2-yloxyphenyl)benzamide
CID 62166478
3-[ethyl-(4-propan-2-yloxybenzoyl)amino]propanoic acid
CID 61007975
ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048450
4-amino-N-(4-propan-2-yloxyphenyl)benzamide
CID 28722589
N,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide
CID 8503969
N-[4-(2-ethoxyethoxy)phenyl]-4-propan-2-yloxybenzamide
CID 17130636
4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide
CID 17123815
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340246
N-(diethylcarbamothioyl)-4-propan-2-yloxybenzamide
CID 4952195

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide (CID 109048416) is 4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide is CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide?
The InChIKey is YIPGEUSFMRMZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-23(6-2)21(25)17-9-7-16(8-10-17)20(24)22-18-11-13-19(14-12-18)26-15(3)4/h7-15H,5-6H2,1-4H3,(H,22,24).
What are the key properties of 4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide?
4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide has a molecular weight of 354.45 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109048416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).