N'-ethyl-N'-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide

C18H20N2O2 — CID 51238799

IUPACN'-ethyl-N'-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
SMILESCCN(NC(=O)C1Cc2ccccc2O1)c1ccc(C)cc1
InChIInChI=1S/C18H20N2O2/c1-3-20(15-10-8-13(2)9-11-15)19-18(21)17-12-14-6-4-5-7-16(14)22-17/h4-11,17H,3,12H2,1-2H3,(H,19,21)
InChIKeyPEWVQJNHSCSNHL-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.86
Rot. Bonds4

About N'-ethyl-N'-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide

N'-ethyl-N'-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide (PubChem CID 51238799) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N'-ethyl-N'-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-ethyl-N'-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
PubChem CID51238799
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN'-ethyl-N'-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
SMILESCCN(NC(=O)C1Cc2ccccc2O1)c1ccc(C)cc1
InChIInChI=1S/C18H20N2O2/c1-3-20(15-10-8-13(2)9-11-15)19-18(21)17-12-14-6-4-5-7-16(14)22-17/h4-11,17H,3,12H2,1-2H3,(H,19,21)
InChIKeyPEWVQJNHSCSNHL-UHFFFAOYSA-N
XLogP2.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51296393
(2R,3S)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-3-methylpentanoic acid
CID 124838129
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47127876
(2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8872415
N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60896123
N-[2-(ethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119507846
N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47114339
methyl (2R)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylbutanoate
CID 97315904
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
methyl 2-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylpropanoate
CID 30886866
N-(1-amino-1-sulfanylidenebutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 61120291

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-ethyl-N'-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide (CID 51238799) is N'-ethyl-N'-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-ethyl-N'-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-ethyl-N'-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide is CCN(NC(=O)C1Cc2ccccc2O1)c1ccc(C)cc1.
What is the InChIKey of N'-ethyl-N'-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
The InChIKey is PEWVQJNHSCSNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-20(15-10-8-13(2)9-11-15)19-18(21)17-12-14-6-4-5-7-16(14)22-17/h4-11,17H,3,12H2,1-2H3,(H,19,21).
What are the key properties of N'-ethyl-N'-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
N'-ethyl-N'-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide has a molecular weight of 296.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 51238799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).