N-[3-(diethylcarbamoyl)phenyl]-2-(3,4-dimethylbenzoyl)benzamide

C27H28N2O3 — CID 36835148

IUPACN-[3-(diethylcarbamoyl)phenyl]-2-(3,4-dimethylbenzoyl)benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C27H28N2O3/c1-5-29(6-2)27(32)21-10-9-11-22(17-21)28-26(31)24-13-8-7-12-23(24)25(30)20-15-14-18(3)19(4)16-20/h7-17H,5-6H2,1-4H3,(H,28,31)
InChIKeyBCRCKDMGXCQGNA-UHFFFAOYSA-N
MW428.53 g/mol
LogP5.27
Rot. Bonds7

About N-[3-(diethylcarbamoyl)phenyl]-2-(3,4-dimethylbenzoyl)benzamide

N-[3-(diethylcarbamoyl)phenyl]-2-(3,4-dimethylbenzoyl)benzamide (PubChem CID 36835148) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-2-(3,4-dimethylbenzoyl)benzamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]-2-(3,4-dimethylbenzoyl)benzamide
PubChem CID36835148
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]-2-(3,4-dimethylbenzoyl)benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C27H28N2O3/c1-5-29(6-2)27(32)21-10-9-11-22(17-21)28-26(31)24-13-8-7-12-23(24)25(30)20-15-14-18(3)19(4)16-20/h7-17H,5-6H2,1-4H3,(H,28,31)
InChIKeyBCRCKDMGXCQGNA-UHFFFAOYSA-N
XLogP5.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 17194604
N-[3-(diethylcarbamoyl)phenyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 55629211
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290674
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
N-[3-(diethylcarbamoyl)phenyl]-4-methoxynaphthalene-1-carboxamide
CID 39964708
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide
CID 26712476
N-[3-(diethylcarbamoyl)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 78775472
3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide
CID 55645545
N-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide
CID 846043

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-2-(3,4-dimethylbenzoyl)benzamide?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-2-(3,4-dimethylbenzoyl)benzamide (CID 36835148) is N-[3-(diethylcarbamoyl)phenyl]-2-(3,4-dimethylbenzoyl)benzamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-2-(3,4-dimethylbenzoyl)benzamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-2-(3,4-dimethylbenzoyl)benzamide is CCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-2-(3,4-dimethylbenzoyl)benzamide?
The InChIKey is BCRCKDMGXCQGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-5-29(6-2)27(32)21-10-9-11-22(17-21)28-26(31)24-13-8-7-12-23(24)25(30)20-15-14-18(3)19(4)16-20/h7-17H,5-6H2,1-4H3,(H,28,31).
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-2-(3,4-dimethylbenzoyl)benzamide?
N-[3-(diethylcarbamoyl)phenyl]-2-(3,4-dimethylbenzoyl)benzamide has a molecular weight of 428.53 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)phenyl]-2-(3,4-dimethylbenzoyl)benzamide is sourced from PubChem (CID 36835148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).