N-tert-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide

C21H26N2O3 — CID 8779150

IUPACN-tert-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1
InChIInChI=1S/C21H26N2O3/c1-14(2)26-16-10-8-9-15(13-16)19(24)22-18-12-7-6-11-17(18)20(25)23-21(3,4)5/h6-14H,1-5H3,(H,22,24)(H,23,25)
InChIKeyACZIKYMZADHISA-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.25
Rot. Bonds5

About N-tert-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide

N-tert-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide (PubChem CID 8779150) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
PubChem CID8779150
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-tert-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1
InChIInChI=1S/C21H26N2O3/c1-14(2)26-16-10-8-9-15(13-16)19(24)22-18-12-7-6-11-17(18)20(25)23-21(3,4)5/h6-14H,1-5H3,(H,22,24)(H,23,25)
InChIKeyACZIKYMZADHISA-UHFFFAOYSA-N
XLogP4.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17140330
methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17175287
N-(2-tert-butylphenyl)-3-propan-2-yloxybenzamide
CID 8779118
N-(4-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17142457
N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17149439
2-[(3-butan-2-yloxybenzoyl)carbamothioylamino]-N-tert-butylbenzamide
CID 17150095
N-(2-cyanophenyl)-3-propan-2-yloxybenzamide
CID 924558
N-tert-butyl-2-(2-phenoxypropanoylamino)benzamide
CID 4939976
3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide
CID 17226566
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
N-[2-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142483
2-methyl-N'-(3-propan-2-yloxybenzoyl)benzohydrazide
CID 17142532

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide?
The IUPAC name of N-tert-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide (CID 8779150) is N-tert-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide.
What is the SMILES notation for N-tert-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide?
The canonical SMILES for N-tert-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide is CC(C)Oc1cccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide?
The InChIKey is ACZIKYMZADHISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14(2)26-16-10-8-9-15(13-16)19(24)22-18-12-7-6-11-17(18)20(25)23-21(3,4)5/h6-14H,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-tert-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide?
N-tert-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide has a molecular weight of 354.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide is sourced from PubChem (CID 8779150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).