N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(pyridin-3-ylmethyl)acetamide

C22H30N2O — CID 18557463

IUPACN-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CC1CCCCC1)N(Cc1cccnc1)C[C@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C22H30N2O/c25-22(13-17-5-2-1-3-6-17)24(15-19-7-4-10-23-14-19)16-21-12-18-8-9-20(21)11-18/h4,7-10,14,17-18,20-21H,1-3,5-6,11-13,15-16H2/t18-,20-,21+/m0/s1
InChIKeyDTCVDXLJDIUVFZ-SESVDKBCSA-N
MW338.50 g/mol
LogP4.59
Rot. Bonds6

About N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(pyridin-3-ylmethyl)acetamide

N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 18557463) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(pyridin-3-ylmethyl)acetamide
PubChem CID18557463
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC NameN-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CC1CCCCC1)N(Cc1cccnc1)C[C@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C22H30N2O/c25-22(13-17-5-2-1-3-6-17)24(15-19-7-4-10-23-14-19)16-21-12-18-8-9-20(21)11-18/h4,7-10,14,17-18,20-21H,1-3,5-6,11-13,15-16H2/t18-,20-,21+/m0/s1
InChIKeyDTCVDXLJDIUVFZ-SESVDKBCSA-N
XLogP4.59
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 11921808
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 11921659
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)isoquinoline-1-carboxamide
CID 11921666
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 18557460
N-(cyclohexylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 42789358
N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide
CID 18557473
N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283
(1R,2S,4S)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98288464
N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 42293272
(1S,2S,4S)-N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 164641594
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42515288
2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid
CID 46993000

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(pyridin-3-ylmethyl)acetamide (CID 18557463) is N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(pyridin-3-ylmethyl)acetamide is O=C(CC1CCCCC1)N(Cc1cccnc1)C[C@H]1C[C@H]2C=C[C@H]1C2.
What is the InChIKey of N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is DTCVDXLJDIUVFZ-SESVDKBCSA-N. The full InChI is InChI=1S/C22H30N2O/c25-22(13-17-5-2-1-3-6-17)24(15-19-7-4-10-23-14-19)16-21-12-18-8-9-20(21)11-18/h4,7-10,14,17-18,20-21H,1-3,5-6,11-13,15-16H2/t18-,20-,21+/m0/s1.
What are the key properties of N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(pyridin-3-ylmethyl)acetamide?
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 338.50 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 18557463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).