N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C23H30N2O3 — CID 11921796

IUPACN-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(c1ccc2c(c1)CCO2)N(CCN1CCOCC1)C[C@@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C23H30N2O3/c26-23(20-3-4-22-19(15-20)5-10-28-22)25(7-6-24-8-11-27-12-9-24)16-21-14-17-1-2-18(21)13-17/h1-4,15,17-18,21H,5-14,16H2/t17-,18+,21+/m1/s1
InChIKeyWDYWSCSASURZNX-LQWHRVPQSA-N
MW382.50 g/mol
LogP2.61
Rot. Bonds6

About N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 11921796) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID11921796
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(c1ccc2c(c1)CCO2)N(CCN1CCOCC1)C[C@@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C23H30N2O3/c26-23(20-3-4-22-19(15-20)5-10-28-22)25(7-6-24-8-11-27-12-9-24)16-21-14-17-1-2-18(21)13-17/h1-4,15,17-18,21H,5-14,16H2/t17-,18+,21+/m1/s1
InChIKeyWDYWSCSASURZNX-LQWHRVPQSA-N
XLogP2.61
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide with MolForge

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Related Compounds

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 42709163
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)naphthalene-2-carboxamide
CID 42700955
N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide
CID 18557473
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42700974
2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid
CID 61013012
2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 46060500
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanecarboxamide
CID 42700952
N-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63395170
3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42861962
N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 79698342
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
N-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 58702607

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 11921796) is N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(c1ccc2c(c1)CCO2)N(CCN1CCOCC1)C[C@@H]1C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is WDYWSCSASURZNX-LQWHRVPQSA-N. The full InChI is InChI=1S/C23H30N2O3/c26-23(20-3-4-22-19(15-20)5-10-28-22)25(7-6-24-8-11-27-12-9-24)16-21-14-17-1-2-18(21)13-17/h1-4,15,17-18,21H,5-14,16H2/t17-,18+,21+/m1/s1.
What are the key properties of N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 382.50 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 11921796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).