N-(2-tert-butylphenyl)-3-propan-2-yloxybenzamide

C20H25NO2 — CID 8779118

IUPACN-(2-tert-butylphenyl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C20H25NO2/c1-14(2)23-16-10-8-9-15(13-16)19(22)21-18-12-7-6-11-17(18)20(3,4)5/h6-14H,1-5H3,(H,21,22)
InChIKeyMMQMBTSRGCTHGB-UHFFFAOYSA-N
MW311.43 g/mol
LogP5.02
Rot. Bonds4

About N-(2-tert-butylphenyl)-3-propan-2-yloxybenzamide

N-(2-tert-butylphenyl)-3-propan-2-yloxybenzamide (PubChem CID 8779118) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-3-propan-2-yloxybenzamide
PubChem CID8779118
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-(2-tert-butylphenyl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C20H25NO2/c1-14(2)23-16-10-8-9-15(13-16)19(22)21-18-12-7-6-11-17(18)20(3,4)5/h6-14H,1-5H3,(H,21,22)
InChIKeyMMQMBTSRGCTHGB-UHFFFAOYSA-N
XLogP5.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-tert-butylphenyl)-3-phenoxybenzamide
CID 7920156
N-tert-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 8779150
N-(2-cyanophenyl)-3-propan-2-yloxybenzamide
CID 924558
3-N-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057400
N-[2-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142483
3-N-(2-tert-butylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052583
3-propan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960500
N-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide
CID 112997486
N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17149439
N-(4-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17142457
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-3-propan-2-yloxybenzamide?
The IUPAC name of N-(2-tert-butylphenyl)-3-propan-2-yloxybenzamide (CID 8779118) is N-(2-tert-butylphenyl)-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(2-tert-butylphenyl)-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)Nc2ccccc2C(C)(C)C)c1.
What is the InChIKey of N-(2-tert-butylphenyl)-3-propan-2-yloxybenzamide?
The InChIKey is MMQMBTSRGCTHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14(2)23-16-10-8-9-15(13-16)19(22)21-18-12-7-6-11-17(18)20(3,4)5/h6-14H,1-5H3,(H,21,22).
What are the key properties of N-(2-tert-butylphenyl)-3-propan-2-yloxybenzamide?
N-(2-tert-butylphenyl)-3-propan-2-yloxybenzamide has a molecular weight of 311.43 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-3-propan-2-yloxybenzamide is sourced from PubChem (CID 8779118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).