N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4-(morpholine-4-carbonyl)benzamide

C21H26N2O3 — CID 118762488

IUPACN-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4-(morpholine-4-carbonyl)benzamide
SMILESO=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O3/c24-20(22-8-7-19-14-15-1-2-18(19)13-15)16-3-5-17(6-4-16)21(25)23-9-11-26-12-10-23/h1-6,15,18-19H,7-14H2,(H,22,24)/t15-,18+,19-/m1/s1
InChIKeyFSTORTAFYVFPQB-AYOQOUSVSA-N
MW354.45 g/mol
LogP2.49
Rot. Bonds5

About N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4-(morpholine-4-carbonyl)benzamide

N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4-(morpholine-4-carbonyl)benzamide (PubChem CID 118762488) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4-(morpholine-4-carbonyl)benzamide.

Molecular Properties

Compound NameN-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4-(morpholine-4-carbonyl)benzamide
PubChem CID118762488
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4-(morpholine-4-carbonyl)benzamide
SMILESO=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O3/c24-20(22-8-7-19-14-15-1-2-18(19)13-15)16-3-5-17(6-4-16)21(25)23-9-11-26-12-10-23/h1-6,15,18-19H,7-14H2,(H,22,24)/t15-,18+,19-/m1/s1
InChIKeyFSTORTAFYVFPQB-AYOQOUSVSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045407
N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide
CID 138751647
4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109045457
[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 139403659
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(morpholine-4-carbonyl)benzamide
CID 91838615
N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045422
4-[[2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]methyl]benzoic acid
CID 122034993
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N-propylbenzamide
CID 54831969
3-(morpholine-4-carbonyl)-N-propylbenzamide
CID 109050289
[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 139403658

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4-(morpholine-4-carbonyl)benzamide?
The IUPAC name of N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4-(morpholine-4-carbonyl)benzamide (CID 118762488) is N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4-(morpholine-4-carbonyl)benzamide.
What is the SMILES notation for N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4-(morpholine-4-carbonyl)benzamide?
The canonical SMILES for N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4-(morpholine-4-carbonyl)benzamide is O=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4-(morpholine-4-carbonyl)benzamide?
The InChIKey is FSTORTAFYVFPQB-AYOQOUSVSA-N. The full InChI is InChI=1S/C21H26N2O3/c24-20(22-8-7-19-14-15-1-2-18(19)13-15)16-3-5-17(6-4-16)21(25)23-9-11-26-12-10-23/h1-6,15,18-19H,7-14H2,(H,22,24)/t15-,18+,19-/m1/s1.
What are the key properties of N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4-(morpholine-4-carbonyl)benzamide?
N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4-(morpholine-4-carbonyl)benzamide has a molecular weight of 354.45 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4-(morpholine-4-carbonyl)benzamide is sourced from PubChem (CID 118762488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).