N-(2-aminophenyl)-N-ethyl-1,3-dihydro-2-benzofuran-5-carboxamide

C17H18N2O2 — CID 63732876

IUPACN-(2-aminophenyl)-N-ethyl-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)COC2)c1ccccc1N
InChIInChI=1S/C17H18N2O2/c1-2-19(16-6-4-3-5-15(16)18)17(20)12-7-8-13-10-21-11-14(13)9-12/h3-9H,2,10-11,18H2,1H3
InChIKeyOUUAXRRBSUERSK-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.97
Rot. Bonds3

About N-(2-aminophenyl)-N-ethyl-1,3-dihydro-2-benzofuran-5-carboxamide

N-(2-aminophenyl)-N-ethyl-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 63732876) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-ethyl-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-ethyl-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID63732876
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(2-aminophenyl)-N-ethyl-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)COC2)c1ccccc1N
InChIInChI=1S/C17H18N2O2/c1-2-19(16-6-4-3-5-15(16)18)17(20)12-7-8-13-10-21-11-14(13)9-12/h3-9H,2,10-11,18H2,1H3
InChIKeyOUUAXRRBSUERSK-UHFFFAOYSA-N
XLogP2.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-3-bromo-4-chloro-N-ethylbenzamide
CID 107997593
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N-(2-aminophenyl)-N-ethyl-4-methoxybenzamide
CID 62101473
3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide
CID 61091736
1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea
CID 79153610
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N-(2-aminophenyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide
CID 65237675
N-(2-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide
CID 63230488
(3-amino-2-bromophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 113367216
N-butyl-N-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63742331
2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 65180261
N-(2-aminophenyl)-N-ethyl-2-(2-methylphenyl)acetamide
CID 62100818

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-ethyl-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-(2-aminophenyl)-N-ethyl-1,3-dihydro-2-benzofuran-5-carboxamide (CID 63732876) is N-(2-aminophenyl)-N-ethyl-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-N-ethyl-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-N-ethyl-1,3-dihydro-2-benzofuran-5-carboxamide is CCN(C(=O)c1ccc2c(c1)COC2)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-N-ethyl-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is OUUAXRRBSUERSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-19(16-6-4-3-5-15(16)18)17(20)12-7-8-13-10-21-11-14(13)9-12/h3-9H,2,10-11,18H2,1H3.
What are the key properties of N-(2-aminophenyl)-N-ethyl-1,3-dihydro-2-benzofuran-5-carboxamide?
N-(2-aminophenyl)-N-ethyl-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-ethyl-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 63732876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).