N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide

C23H32N2O3 — CID 42709163

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)N(CCCN2CCOCC2)CC2CC3C=CC2C3)cc1
InChIInChI=1S/C23H32N2O3/c1-27-22-7-5-19(6-8-22)23(26)25(10-2-9-24-11-13-28-14-12-24)17-21-16-18-3-4-20(21)15-18/h3-8,18,20-21H,2,9-17H2,1H3
InChIKeyFXRBKMWEZIDNFX-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.07
Rot. Bonds8

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 42709163) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID42709163
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)N(CCCN2CCOCC2)CC2CC3C=CC2C3)cc1
InChIInChI=1S/C23H32N2O3/c1-27-22-7-5-19(6-8-22)23(26)25(10-2-9-24-11-13-28-14-12-24)17-21-16-18-3-4-20(21)15-18/h3-8,18,20-21H,2,9-17H2,1H3
InChIKeyFXRBKMWEZIDNFX-UHFFFAOYSA-N
XLogP3.07
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42700974
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
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)naphthalene-2-carboxamide
CID 42700955
N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 99731711
3-methoxy-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide
CID 42701708
4-ethoxy-N-(3-morpholin-4-ylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 46332972
ethyl 2-[[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]acetate
CID 42701674
3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 4614213
4-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 46333078
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 42862635
N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 42701292

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide (CID 42709163) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide is COc1ccc(C(=O)N(CCCN2CCOCC2)CC2CC3C=CC2C3)cc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is FXRBKMWEZIDNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-27-22-7-5-19(6-8-22)23(26)25(10-2-9-24-11-13-28-14-12-24)17-21-16-18-3-4-20(21)15-18/h3-8,18,20-21H,2,9-17H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 384.52 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 42709163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).