(1R,2S,4S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C18H24N2O — CID 98302763

IUPAC(1R,2S,4S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCN(C)[C@@H](CNC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1
InChIInChI=1S/C18H24N2O/c1-20(2)17(14-6-4-3-5-7-14)12-19-18(21)16-11-13-8-9-15(16)10-13/h3-9,13,15-17H,10-12H2,1-2H3,(H,19,21)/t13-,15-,16-,17-/m0/s1
InChIKeyNIEDAEHQKIVGOW-HJWJTTGWSA-N
MW284.40 g/mol
LogP2.62
Rot. Bonds5

About (1R,2S,4S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

(1R,2S,4S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 98302763) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (1R,2S,4S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name(1R,2S,4S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID98302763
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(1R,2S,4S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCN(C)[C@@H](CNC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1
InChIInChI=1S/C18H24N2O/c1-20(2)17(14-6-4-3-5-7-14)12-19-18(21)16-11-13-8-9-15(16)10-13/h3-9,13,15-17H,10-12H2,1-2H3,(H,19,21)/t13-,15-,16-,17-/m0/s1
InChIKeyNIEDAEHQKIVGOW-HJWJTTGWSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-phenylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 55177352
N-[2-(dimethylamino)-2-phenylethyl]thiomorpholine-3-carboxamide
CID 82908479
4-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-3-methylbutanoic acid
CID 81064143
N-[2-(dimethylamino)-2-phenylethyl]cyclohexanecarboxamide
CID 45001445
N-[2-(dimethylamino)-2-phenylethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119828799
trans-(1R,2R)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-methylcyclopropane-1-carboxamide
CID 129419786
N-[2-(dimethylamino)-2-phenylethyl]-4-methylpiperidine-2-carboxamide
CID 114423675
(1R,2S,4S)-N-[[4-(dimethylamino)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98416971
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide
CID 63046098
methyl 3-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxypropanoate
CID 103491118
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828747
(3R,4S)-N-[2-(dimethylamino)-2-phenylethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120937819

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of (1R,2S,4S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 98302763) is (1R,2S,4S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for (1R,2S,4S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for (1R,2S,4S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is CN(C)[C@@H](CNC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1.
What is the InChIKey of (1R,2S,4S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is NIEDAEHQKIVGOW-HJWJTTGWSA-N. The full InChI is InChI=1S/C18H24N2O/c1-20(2)17(14-6-4-3-5-7-14)12-19-18(21)16-11-13-8-9-15(16)10-13/h3-9,13,15-17H,10-12H2,1-2H3,(H,19,21)/t13-,15-,16-,17-/m0/s1.
What are the key properties of (1R,2S,4S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
(1R,2S,4S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 98302763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).