N-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide

C17H18N2O2 — CID 63233821

IUPACN-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)CCO2)c1ccc(N)cc1
InChIInChI=1S/C17H18N2O2/c1-2-19(15-6-4-14(18)5-7-15)17(20)13-3-8-16-12(11-13)9-10-21-16/h3-8,11H,2,9-10,18H2,1H3
InChIKeyMUEVFPDOXAGZQS-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.87
Rot. Bonds3

About N-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide

N-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 63233821) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID63233821
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)CCO2)c1ccc(N)cc1
InChIInChI=1S/C17H18N2O2/c1-2-19(15-6-4-14(18)5-7-15)17(20)13-3-8-16-12(11-13)9-10-21-16/h3-8,11H,2,9-10,18H2,1H3
InChIKeyMUEVFPDOXAGZQS-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63395170
N,N-diethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693371
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 76936987
2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylbutan-1-one
CID 116592719
N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63755933
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide
CID 115160758
2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid
CID 61013012
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
N-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide
CID 63233645
N-(5-aminopentyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 107206756
N-(6-amino-3-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 115274571
2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-aminobenzoate
CID 65445543

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide (CID 63233821) is N-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide is CCN(C(=O)c1ccc2c(c1)CCO2)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is MUEVFPDOXAGZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-19(15-6-4-14(18)5-7-15)17(20)13-3-8-16-12(11-13)9-10-21-16/h3-8,11H,2,9-10,18H2,1H3.
What are the key properties of N-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 63233821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).