butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate

C23H23NO4 — CID 43909390

IUPACbutyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1
InChIInChI=1S/C23H23NO4/c1-3-4-13-28-23(26)16-9-11-19(12-10-16)24-22(25)20-14-17-7-5-6-8-18(17)15-21(20)27-2/h5-12,14-15H,3-4,13H2,1-2H3,(H,24,25)
InChIKeyMRNUGBSJWCWPCE-UHFFFAOYSA-N
MW377.44 g/mol
LogP5.06
Rot. Bonds7

About butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate

butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate (PubChem CID 43909390) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
PubChem CID43909390
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Namebutyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1
InChIInChI=1S/C23H23NO4/c1-3-4-13-28-23(26)16-9-11-19(12-10-16)24-22(25)20-14-17-7-5-6-8-18(17)15-21(20)27-2/h5-12,14-15H,3-4,13H2,1-2H3,(H,24,25)
InChIKeyMRNUGBSJWCWPCE-UHFFFAOYSA-N
XLogP5.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.44
LogP ≤ 55.06
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

propyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 2292301
pentyl 4-(naphthalene-1-carbonylamino)benzoate
CID 19203532
butyl 4-[(3-chloro-4-methoxybenzoyl)amino]benzoate
CID 44871422
butyl 4-[(2,4-difluorobenzoyl)amino]benzoate
CID 7760837
N-[4-[(2R)-butan-2-yl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 7935730
hexyl 4-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]benzoate
CID 2789416
2-[(4-hexoxycarbonylphenyl)carbamoyl]benzoate
CID 3544823
octyl 4-[[3-(2-methoxyphenyl)-3-oxopropanoyl]amino]benzoate
CID 4550624
butyl 4-[(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)amino]benzoate
CID 66497900
butyl 4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate
CID 16650686
butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate
CID 100534622
butyl 4-[(2-chloro-5-iodobenzoyl)amino]benzoate
CID 2298823

Frequently Asked Questions

What is the IUPAC name of butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate?
The IUPAC name of butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate (CID 43909390) is butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate.
What is the SMILES notation for butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate?
The canonical SMILES for butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1.
What is the InChIKey of butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate?
The InChIKey is MRNUGBSJWCWPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-3-4-13-28-23(26)16-9-11-19(12-10-16)24-22(25)20-14-17-7-5-6-8-18(17)15-21(20)27-2/h5-12,14-15H,3-4,13H2,1-2H3,(H,24,25).
What are the key properties of butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate?
butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate has a molecular weight of 377.44 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate is sourced from PubChem (CID 43909390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).