N-[2-(tert-butylcarbamoyl)phenyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide

C23H30N2O3 — CID 100715391

IUPACN-[2-(tert-butylcarbamoyl)phenyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1C(C)C
InChIInChI=1S/C23H30N2O3/c1-14(2)17-13-18(15(3)12-20(17)28-7)21(26)24-19-11-9-8-10-16(19)22(27)25-23(4,5)6/h8-14H,1-7H3,(H,24,26)(H,25,27)
InChIKeyNADCKJKXWLNKRN-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.91
Rot. Bonds5

About N-[2-(tert-butylcarbamoyl)phenyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide

N-[2-(tert-butylcarbamoyl)phenyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide (PubChem CID 100715391) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[2-(tert-butylcarbamoyl)phenyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-(tert-butylcarbamoyl)phenyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
PubChem CID100715391
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[2-(tert-butylcarbamoyl)phenyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1C(C)C
InChIInChI=1S/C23H30N2O3/c1-14(2)17-13-18(15(3)12-20(17)28-7)21(26)24-19-11-9-8-10-16(19)22(27)25-23(4,5)6/h8-14H,1-7H3,(H,24,26)(H,25,27)
InChIKeyNADCKJKXWLNKRN-UHFFFAOYSA-N
XLogP4.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(tert-butylcarbamoyl)phenyl]-2,4,5-trimethylbenzamide
CID 100710384
4-methoxy-2-methyl-N-phenyl-5-propan-2-ylbenzamide
CID 83407606
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715402
4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide
CID 116846868
5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide
CID 120620337
N-tert-butyl-4-methoxy-2,5-dimethylbenzamide
CID 110761615
N-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100712843
N-(3,4-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100714297
3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide
CID 17226566
N-(3-chloro-4-fluorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100713672
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116918708
methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17175287

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylcarbamoyl)phenyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
The IUPAC name of N-[2-(tert-butylcarbamoyl)phenyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide (CID 100715391) is N-[2-(tert-butylcarbamoyl)phenyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-(tert-butylcarbamoyl)phenyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
The canonical SMILES for N-[2-(tert-butylcarbamoyl)phenyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide is COc1cc(C)c(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1C(C)C.
What is the InChIKey of N-[2-(tert-butylcarbamoyl)phenyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
The InChIKey is NADCKJKXWLNKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-14(2)17-13-18(15(3)12-20(17)28-7)21(26)24-19-11-9-8-10-16(19)22(27)25-23(4,5)6/h8-14H,1-7H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-(tert-butylcarbamoyl)phenyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
N-[2-(tert-butylcarbamoyl)phenyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide has a molecular weight of 382.50 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylcarbamoyl)phenyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide is sourced from PubChem (CID 100715391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).