N-[1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-methoxyphenyl)acetamide

C18H24N2O2 — CID 129440050

IUPACN-[1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NN=C(C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1
InChIInChI=1S/C18H24N2O2/c1-12(17-10-14-3-6-15(17)9-14)19-20-18(21)11-13-4-7-16(22-2)8-5-13/h4-5,7-8,14-15,17H,3,6,9-11H2,1-2H3,(H,20,21)/t14-,15-,17-/m0/s1
InChIKeyQHCWNDHTNWAHPQ-ZOBUZTSGSA-N
MW300.40 g/mol
LogP3.17
Rot. Bonds5

About N-[1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-methoxyphenyl)acetamide

N-[1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-methoxyphenyl)acetamide (PubChem CID 129440050) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-methoxyphenyl)acetamide
PubChem CID129440050
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NN=C(C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1
InChIInChI=1S/C18H24N2O2/c1-12(17-10-14-3-6-15(17)9-14)19-20-18(21)11-13-4-7-16(22-2)8-5-13/h4-5,7-8,14-15,17H,3,6,9-11H2,1-2H3,(H,20,21)/t14-,15-,17-/m0/s1
InChIKeyQHCWNDHTNWAHPQ-ZOBUZTSGSA-N
XLogP3.17
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 7308856
N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-nitrophenyl)acetamide
CID 3296088
N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-chlorophenoxy)acetamide
CID 3454323
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]butanediamide
CID 3254874
N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3,4-dimethoxybenzamide
CID 7459310
N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 968760
N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3,4,5-trimethoxybenzamide
CID 7256309
(1R,2R)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939210
ethyl N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]carbamate
CID 7112571
N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-hydroxybenzamide
CID 98659475
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 11915183
N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-methylbenzamide
CID 3604232

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-methoxyphenyl)acetamide (CID 129440050) is N-[1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NN=C(C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1.
What is the InChIKey of N-[1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-methoxyphenyl)acetamide?
The InChIKey is QHCWNDHTNWAHPQ-ZOBUZTSGSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12(17-10-14-3-6-15(17)9-14)19-20-18(21)11-13-4-7-16(22-2)8-5-13/h4-5,7-8,14-15,17H,3,6,9-11H2,1-2H3,(H,20,21)/t14-,15-,17-/m0/s1.
What are the key properties of N-[1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-methoxyphenyl)acetamide?
N-[1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-methoxyphenyl)acetamide has a molecular weight of 300.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 129440050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).