butyl 2-[(3-methoxycarbonylbenzoyl)amino]benzoate

C20H21NO5 — CID 108786656

IUPACbutyl 2-[(3-methoxycarbonylbenzoyl)amino]benzoate
SMILESCCCCOC(=O)c1ccccc1NC(=O)c1cccc(C(=O)OC)c1
InChIInChI=1S/C20H21NO5/c1-3-4-12-26-20(24)16-10-5-6-11-17(16)21-18(22)14-8-7-9-15(13-14)19(23)25-2/h5-11,13H,3-4,12H2,1-2H3,(H,21,22)
InChIKeyWOUAVAUXZYKGSM-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.68
Rot. Bonds7

About butyl 2-[(3-methoxycarbonylbenzoyl)amino]benzoate

butyl 2-[(3-methoxycarbonylbenzoyl)amino]benzoate (PubChem CID 108786656) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is butyl 2-[(3-methoxycarbonylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namebutyl 2-[(3-methoxycarbonylbenzoyl)amino]benzoate
PubChem CID108786656
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Namebutyl 2-[(3-methoxycarbonylbenzoyl)amino]benzoate
SMILESCCCCOC(=O)c1ccccc1NC(=O)c1cccc(C(=O)OC)c1
InChIInChI=1S/C20H21NO5/c1-3-4-12-26-20(24)16-10-5-6-11-17(16)21-18(22)14-8-7-9-15(13-14)19(23)25-2/h5-11,13H,3-4,12H2,1-2H3,(H,21,22)
InChIKeyWOUAVAUXZYKGSM-UHFFFAOYSA-N
XLogP3.68
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
nonyl 3-[(2-fluorophenyl)carbamoyl]benzoate
CID 91740457
hexyl 3-[(2-chlorophenyl)carbamoyl]benzoate
CID 91737156
methyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17175300
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
methyl 2-[(4-pentoxybenzoyl)amino]benzoate
CID 4935100
methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17175287
methyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 17186778
methyl 2-[(3-iodobenzoyl)amino]benzoate
CID 1019242
methyl 2-[(3-ethoxybenzoyl)amino]benzoate
CID 881681
2-[(3-butoxybenzoyl)amino]-N-methylbenzamide
CID 17354046
butyl 2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate
CID 108788473

Frequently Asked Questions

What is the IUPAC name of butyl 2-[(3-methoxycarbonylbenzoyl)amino]benzoate?
The IUPAC name of butyl 2-[(3-methoxycarbonylbenzoyl)amino]benzoate (CID 108786656) is butyl 2-[(3-methoxycarbonylbenzoyl)amino]benzoate.
What is the SMILES notation for butyl 2-[(3-methoxycarbonylbenzoyl)amino]benzoate?
The canonical SMILES for butyl 2-[(3-methoxycarbonylbenzoyl)amino]benzoate is CCCCOC(=O)c1ccccc1NC(=O)c1cccc(C(=O)OC)c1.
What is the InChIKey of butyl 2-[(3-methoxycarbonylbenzoyl)amino]benzoate?
The InChIKey is WOUAVAUXZYKGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-3-4-12-26-20(24)16-10-5-6-11-17(16)21-18(22)14-8-7-9-15(13-14)19(23)25-2/h5-11,13H,3-4,12H2,1-2H3,(H,21,22).
What are the key properties of butyl 2-[(3-methoxycarbonylbenzoyl)amino]benzoate?
butyl 2-[(3-methoxycarbonylbenzoyl)amino]benzoate has a molecular weight of 355.39 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[(3-methoxycarbonylbenzoyl)amino]benzoate is sourced from PubChem (CID 108786656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).