6-ethyl-N,2-dimethyl-4-oxo-N-phenylfuro[2,3-b]azepine-3-carboxamide

C19H18N2O3 — CID 71035967

IUPAC6-ethyl-N,2-dimethyl-4-oxo-N-phenylfuro[2,3-b]azepine-3-carboxamide
SMILESCCc1cnc2oc(C)c(C(=O)N(C)c3ccccc3)c2c(=O)c1
InChIInChI=1S/C19H18N2O3/c1-4-13-10-15(22)17-16(12(2)24-18(17)20-11-13)19(23)21(3)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3
InChIKeyONXBKCKAHODHNQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.34
Rot. Bonds3

About 6-ethyl-N,2-dimethyl-4-oxo-N-phenylfuro[2,3-b]azepine-3-carboxamide

6-ethyl-N,2-dimethyl-4-oxo-N-phenylfuro[2,3-b]azepine-3-carboxamide (PubChem CID 71035967) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 6-ethyl-N,2-dimethyl-4-oxo-N-phenylfuro[2,3-b]azepine-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-N,2-dimethyl-4-oxo-N-phenylfuro[2,3-b]azepine-3-carboxamide
PubChem CID71035967
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name6-ethyl-N,2-dimethyl-4-oxo-N-phenylfuro[2,3-b]azepine-3-carboxamide
SMILESCCc1cnc2oc(C)c(C(=O)N(C)c3ccccc3)c2c(=O)c1
InChIInChI=1S/C19H18N2O3/c1-4-13-10-15(22)17-16(12(2)24-18(17)20-11-13)19(23)21(3)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3
InChIKeyONXBKCKAHODHNQ-UHFFFAOYSA-N
XLogP3.34
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminophenyl)-N,2,6-trimethyl-4-oxofuro[2,3-b]azepine-3-carboxamide
CID 89210511
ethyl 4-[N-(2-hydroxyethyl)anilino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 22334821
2-N,5-N-dimethyl-2-N,5-N-diphenylfuran-2,5-dicarboxamide
CID 154862775
ethyl 3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651678
N-(3-ethylphenyl)-N-methylbenzamide
CID 90124245
5-(diethylamino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109238902
N-methyl-N-phenyl-1,2-oxazole-3-carboxamide
CID 91235694
N-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259539
2-(dipropylamino)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109264652
N-methyl-2-(pentylamino)-N-phenylpyrimidine-5-carboxamide
CID 109263759
4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109219349
6-[(4-ethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 62004228

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N,2-dimethyl-4-oxo-N-phenylfuro[2,3-b]azepine-3-carboxamide?
The IUPAC name of 6-ethyl-N,2-dimethyl-4-oxo-N-phenylfuro[2,3-b]azepine-3-carboxamide (CID 71035967) is 6-ethyl-N,2-dimethyl-4-oxo-N-phenylfuro[2,3-b]azepine-3-carboxamide.
What is the SMILES notation for 6-ethyl-N,2-dimethyl-4-oxo-N-phenylfuro[2,3-b]azepine-3-carboxamide?
The canonical SMILES for 6-ethyl-N,2-dimethyl-4-oxo-N-phenylfuro[2,3-b]azepine-3-carboxamide is CCc1cnc2oc(C)c(C(=O)N(C)c3ccccc3)c2c(=O)c1.
What is the InChIKey of 6-ethyl-N,2-dimethyl-4-oxo-N-phenylfuro[2,3-b]azepine-3-carboxamide?
The InChIKey is ONXBKCKAHODHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-4-13-10-15(22)17-16(12(2)24-18(17)20-11-13)19(23)21(3)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3.
What are the key properties of 6-ethyl-N,2-dimethyl-4-oxo-N-phenylfuro[2,3-b]azepine-3-carboxamide?
6-ethyl-N,2-dimethyl-4-oxo-N-phenylfuro[2,3-b]azepine-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N,2-dimethyl-4-oxo-N-phenylfuro[2,3-b]azepine-3-carboxamide is sourced from PubChem (CID 71035967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).