3-methylbutyl 4-[(2-methylbenzoyl)amino]benzoate

C20H23NO3 — CID 19165435

IUPAC3-methylbutyl 4-[(2-methylbenzoyl)amino]benzoate
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)OCCC(C)C)cc1
InChIInChI=1S/C20H23NO3/c1-14(2)12-13-24-20(23)16-8-10-17(11-9-16)21-19(22)18-7-5-4-6-15(18)3/h4-11,14H,12-13H2,1-3H3,(H,21,22)
InChIKeyPHYHLJCFOXPOPE-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.45
Rot. Bonds6

About 3-methylbutyl 4-[(2-methylbenzoyl)amino]benzoate

3-methylbutyl 4-[(2-methylbenzoyl)amino]benzoate (PubChem CID 19165435) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-methylbutyl 4-[(2-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Name3-methylbutyl 4-[(2-methylbenzoyl)amino]benzoate
PubChem CID19165435
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name3-methylbutyl 4-[(2-methylbenzoyl)amino]benzoate
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)OCCC(C)C)cc1
InChIInChI=1S/C20H23NO3/c1-14(2)12-13-24-20(23)16-8-10-17(11-9-16)21-19(22)18-7-5-4-6-15(18)3/h4-11,14H,12-13H2,1-3H3,(H,21,22)
InChIKeyPHYHLJCFOXPOPE-UHFFFAOYSA-N
XLogP4.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide
CID 17251615
2-methyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 4944008
3-methylbutyl 4-[(4-nitrobenzoyl)amino]benzoate
CID 1118991
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
ethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate
CID 17045515
ethyl 4-[(2-hydroxybenzoyl)amino]benzoate
CID 5274015
2-methyl-N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]benzamide
CID 17251708
ethyl 4-[[2-[4-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 22782234
propyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate
CID 26704483
N-(4-carbamothioylphenyl)-2-methylbenzamide
CID 24709642
2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide
CID 112979818
N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide
CID 28754496

Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl 4-[(2-methylbenzoyl)amino]benzoate?
The IUPAC name of 3-methylbutyl 4-[(2-methylbenzoyl)amino]benzoate (CID 19165435) is 3-methylbutyl 4-[(2-methylbenzoyl)amino]benzoate.
What is the SMILES notation for 3-methylbutyl 4-[(2-methylbenzoyl)amino]benzoate?
The canonical SMILES for 3-methylbutyl 4-[(2-methylbenzoyl)amino]benzoate is Cc1ccccc1C(=O)Nc1ccc(C(=O)OCCC(C)C)cc1.
What is the InChIKey of 3-methylbutyl 4-[(2-methylbenzoyl)amino]benzoate?
The InChIKey is PHYHLJCFOXPOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14(2)12-13-24-20(23)16-8-10-17(11-9-16)21-19(22)18-7-5-4-6-15(18)3/h4-11,14H,12-13H2,1-3H3,(H,21,22).
What are the key properties of 3-methylbutyl 4-[(2-methylbenzoyl)amino]benzoate?
3-methylbutyl 4-[(2-methylbenzoyl)amino]benzoate has a molecular weight of 325.41 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl 4-[(2-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 19165435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).