butyl 3-[(3-methoxybenzoyl)amino]benzoate

C19H21NO4 — CID 19166278

IUPACbutyl 3-[(3-methoxybenzoyl)amino]benzoate
SMILESCCCCOC(=O)c1cccc(NC(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C19H21NO4/c1-3-4-11-24-19(22)15-8-5-9-16(12-15)20-18(21)14-7-6-10-17(13-14)23-2/h5-10,12-13H,3-4,11H2,1-2H3,(H,20,21)
InChIKeyNKDDKJNDHNZFSD-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.90
Rot. Bonds7

About butyl 3-[(3-methoxybenzoyl)amino]benzoate

butyl 3-[(3-methoxybenzoyl)amino]benzoate (PubChem CID 19166278) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is butyl 3-[(3-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namebutyl 3-[(3-methoxybenzoyl)amino]benzoate
PubChem CID19166278
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namebutyl 3-[(3-methoxybenzoyl)amino]benzoate
SMILESCCCCOC(=O)c1cccc(NC(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C19H21NO4/c1-3-4-11-24-19(22)15-8-5-9-16(12-15)20-18(21)14-7-6-10-17(13-14)23-2/h5-10,12-13H,3-4,11H2,1-2H3,(H,20,21)
InChIKeyNKDDKJNDHNZFSD-UHFFFAOYSA-N
XLogP3.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 3-(pyridine-4-carbonylamino)benzoate
CID 19171649
butyl 4-[[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 18903375
methane;pentyl 3-methoxybenzoate
CID 175424879
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
N-(3-ethylphenyl)-3-methoxybenzamide
CID 896052
propyl 3-(butoxycarbonylamino)benzoate
CID 19172785
4-butoxy-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 26914609
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
butyl 3-[(3-methylbenzoyl)carbamothioylamino]benzoate
CID 2788313
3-[(3-butoxybenzoyl)amino]-N-propylbenzamide
CID 17222720
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856

Frequently Asked Questions

What is the IUPAC name of butyl 3-[(3-methoxybenzoyl)amino]benzoate?
The IUPAC name of butyl 3-[(3-methoxybenzoyl)amino]benzoate (CID 19166278) is butyl 3-[(3-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for butyl 3-[(3-methoxybenzoyl)amino]benzoate?
The canonical SMILES for butyl 3-[(3-methoxybenzoyl)amino]benzoate is CCCCOC(=O)c1cccc(NC(=O)c2cccc(OC)c2)c1.
What is the InChIKey of butyl 3-[(3-methoxybenzoyl)amino]benzoate?
The InChIKey is NKDDKJNDHNZFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-4-11-24-19(22)15-8-5-9-16(12-15)20-18(21)14-7-6-10-17(13-14)23-2/h5-10,12-13H,3-4,11H2,1-2H3,(H,20,21).
What are the key properties of butyl 3-[(3-methoxybenzoyl)amino]benzoate?
butyl 3-[(3-methoxybenzoyl)amino]benzoate has a molecular weight of 327.38 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-[(3-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 19166278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).