N-[4-(diethylcarbamoyl)phenyl]-3-methoxy-4-(2-methylpropoxy)benzamide

C23H30N2O4 — CID 34317168

IUPACN-[4-(diethylcarbamoyl)phenyl]-3-methoxy-4-(2-methylpropoxy)benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc(OCC(C)C)c(OC)c2)cc1
InChIInChI=1S/C23H30N2O4/c1-6-25(7-2)23(27)17-8-11-19(12-9-17)24-22(26)18-10-13-20(21(14-18)28-5)29-15-16(3)4/h8-14,16H,6-7,15H2,1-5H3,(H,24,26)
InChIKeyGLYDFDJJXZLYCP-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.46
Rot. Bonds9

About N-[4-(diethylcarbamoyl)phenyl]-3-methoxy-4-(2-methylpropoxy)benzamide

N-[4-(diethylcarbamoyl)phenyl]-3-methoxy-4-(2-methylpropoxy)benzamide (PubChem CID 34317168) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[4-(diethylcarbamoyl)phenyl]-3-methoxy-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[4-(diethylcarbamoyl)phenyl]-3-methoxy-4-(2-methylpropoxy)benzamide
PubChem CID34317168
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-[4-(diethylcarbamoyl)phenyl]-3-methoxy-4-(2-methylpropoxy)benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc(OCC(C)C)c(OC)c2)cc1
InChIInChI=1S/C23H30N2O4/c1-6-25(7-2)23(27)17-8-11-19(12-9-17)24-22(26)18-10-13-20(21(14-18)28-5)29-15-16(3)4/h8-14,16H,6-7,15H2,1-5H3,(H,24,26)
InChIKeyGLYDFDJJXZLYCP-UHFFFAOYSA-N
XLogP4.46
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 8503672
3-bromo-N-[[4-(diethylcarbamoyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17197162
N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 2549012
N-(4-bromo-3-methylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide
CID 18226846
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
CID 17196839
5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
CID 8503683
N-(3,5-dimethoxyphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 9096664
methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048429
N,N-diethyl-3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzamide
CID 26712530
N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide
CID 51186820
4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109048416

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-3-methoxy-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-3-methoxy-4-(2-methylpropoxy)benzamide (CID 34317168) is N-[4-(diethylcarbamoyl)phenyl]-3-methoxy-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[4-(diethylcarbamoyl)phenyl]-3-methoxy-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[4-(diethylcarbamoyl)phenyl]-3-methoxy-4-(2-methylpropoxy)benzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(OCC(C)C)c(OC)c2)cc1.
What is the InChIKey of N-[4-(diethylcarbamoyl)phenyl]-3-methoxy-4-(2-methylpropoxy)benzamide?
The InChIKey is GLYDFDJJXZLYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-6-25(7-2)23(27)17-8-11-19(12-9-17)24-22(26)18-10-13-20(21(14-18)28-5)29-15-16(3)4/h8-14,16H,6-7,15H2,1-5H3,(H,24,26).
What are the key properties of N-[4-(diethylcarbamoyl)phenyl]-3-methoxy-4-(2-methylpropoxy)benzamide?
N-[4-(diethylcarbamoyl)phenyl]-3-methoxy-4-(2-methylpropoxy)benzamide has a molecular weight of 398.50 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylcarbamoyl)phenyl]-3-methoxy-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 34317168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).