methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate

C19H18N2O4 — CID 108784479

IUPACmethyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C19H18N2O4/c1-25-19(24)14-6-2-3-7-16(14)21-18(23)13-9-10-15-12(11-13)5-4-8-17(22)20-15/h2-3,6-7,9-11H,4-5,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyPXIJGDZCWCUZCM-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.00
Rot. Bonds3

About methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate

methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate (PubChem CID 108784479) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate
PubChem CID108784479
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C19H18N2O4/c1-25-19(24)14-6-2-3-7-16(14)21-18(23)13-9-10-15-12(11-13)5-4-8-17(22)20-15/h2-3,6-7,9-11H,4-5,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyPXIJGDZCWCUZCM-UHFFFAOYSA-N
XLogP3.00
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate with MolForge

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Related Compounds

dimethyl 5-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzene-1,3-dicarboxylate
CID 108784566
N-(2-carbamoylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761862
N-(3-chloro-2-methylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 39889362
N-(2-morpholin-4-ylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784537
methyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate
CID 167934437
N-(2-tert-butylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110858427
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
ethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate
CID 17492553
2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784440
N-[2-(ethylaminomethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
CID 119439408
N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797826
methyl 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]benzoate
CID 66495211

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate (CID 108784479) is methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCCC(=O)N2.
What is the InChIKey of methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate?
The InChIKey is PXIJGDZCWCUZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-25-19(24)14-6-2-3-7-16(14)21-18(23)13-9-10-15-12(11-13)5-4-8-17(22)20-15/h2-3,6-7,9-11H,4-5,8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate?
methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate has a molecular weight of 338.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate is sourced from PubChem (CID 108784479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).