2-[[3-(3-methylbutoxy)benzoyl]amino]benzamide

C19H22N2O3 — CID 4981659

IUPAC2-[[3-(3-methylbutoxy)benzoyl]amino]benzamide
SMILESCC(C)CCOc1cccc(C(=O)Nc2ccccc2C(N)=O)c1
InChIInChI=1S/C19H22N2O3/c1-13(2)10-11-24-15-7-5-6-14(12-15)19(23)21-17-9-4-3-8-16(17)18(20)22/h3-9,12-13H,10-11H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyPOAGRKOYUWIIKG-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.46
Rot. Bonds7

About 2-[[3-(3-methylbutoxy)benzoyl]amino]benzamide

2-[[3-(3-methylbutoxy)benzoyl]amino]benzamide (PubChem CID 4981659) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[[3-(3-methylbutoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[3-(3-methylbutoxy)benzoyl]amino]benzamide
PubChem CID4981659
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[[3-(3-methylbutoxy)benzoyl]amino]benzamide
SMILESCC(C)CCOc1cccc(C(=O)Nc2ccccc2C(N)=O)c1
InChIInChI=1S/C19H22N2O3/c1-13(2)10-11-24-15-7-5-6-14(12-15)19(23)21-17-9-4-3-8-16(17)18(20)22/h3-9,12-13H,10-11H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyPOAGRKOYUWIIKG-UHFFFAOYSA-N
XLogP3.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(3-methylbutoxy)benzoyl]amino]-N-prop-2-enylbenzamide
CID 4981734
2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 4955048
2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4981868
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 4981650
N-(2-bromo-4-methylphenyl)-3-(3-methylbutoxy)benzamide
CID 54784402
N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981665
3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779
N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981645
3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide
CID 4981633
2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 51208668
3-(3-methylbutoxy)-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 4982052

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-methylbutoxy)benzoyl]amino]benzamide?
The IUPAC name of 2-[[3-(3-methylbutoxy)benzoyl]amino]benzamide (CID 4981659) is 2-[[3-(3-methylbutoxy)benzoyl]amino]benzamide.
What is the SMILES notation for 2-[[3-(3-methylbutoxy)benzoyl]amino]benzamide?
The canonical SMILES for 2-[[3-(3-methylbutoxy)benzoyl]amino]benzamide is CC(C)CCOc1cccc(C(=O)Nc2ccccc2C(N)=O)c1.
What is the InChIKey of 2-[[3-(3-methylbutoxy)benzoyl]amino]benzamide?
The InChIKey is POAGRKOYUWIIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13(2)10-11-24-15-7-5-6-14(12-15)19(23)21-17-9-4-3-8-16(17)18(20)22/h3-9,12-13H,10-11H2,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of 2-[[3-(3-methylbutoxy)benzoyl]amino]benzamide?
2-[[3-(3-methylbutoxy)benzoyl]amino]benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-methylbutoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 4981659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).